A0A096M375_POEFO Loading...

RanBP2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M375, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38Very low69.4Low248 Ų24874 Ų74100%1.22250%0.498SS*.  0114.80-69.5179.3175.800107.4A3M1-A3 PolarHBondContact O-N 3.47Å
2A37.1Very low71.1Confident92 Ų9271.6 Ų71.676%0.7648%0.476SS*.  trans-76.7111.3-178.900000109.6G4A2-G4 PolarHBondContact O-N 3.27Å
3A41.4Very low72.3Confident112 Ų11267.4 Ų67.493%0.92645%0.448SS*.THydrogen-bonded Turntrans-63.7113.1171.700000109M1M1-A3 PolarHBondContact O-N 3.47Å
4G57.8Low73Confident41 Ų4167.3 Ų67.342%0.42344%0.44SS..THydrogen-bonded Turntrans126.6-3.1168.300000117.8A2A2-G4 PolarHBondContact O-N 3.27Å
5A64.1Low73.1Confident87 Ų8768.6 Ų68.672%0.71945%0.451SS*.PPolyproline II helixtrans-81.8129.3176.600000112
6I81Confident71.9Confident37 Ų3776.4 Ų76.419%0.1948%0.48CS..PPolyproline II helixtrans-87.5125.4172.8-61.6166.8000109A8 A109 T111 R115 S117I6-A8 PolarHBondContact O-N 3.44Å; I6-A109 HydrophobicContact CG2-CB 3.99Å; I6-T111 HydrophobicContact CD1-CG2 3.41Å; I6-T111 VanDerWaalsContact CD1-CG2 3.41Å; I6-T111 WeakPolarHBondContact CD1-OG1 3.26Å; I6-T111 HydrophobicContact CG1-CG2 3.89Å; I6-R115 HydrophobicContact CD1-CB 3.35Å; I6-R115 WeakPolarHBondContact CD1-O 3.49Å; I6-R115 HydrophobicContact CG1-CB 4.28Å; I6-S117 WeakPolarHBondContact O-CB 3.22Å
7S86Confident70.6Confident59 Ų5975.2 Ų75.241%0.41349%0.485SS..PPolyproline II helixtrans-58.7133.4175.3-60.50000111.7
8A88.2Confident69.2Low35 Ų3579.1 Ų79.129%0.28951%0.507SS..PPolyproline II helixtrans-61.7145.5172.200000111I6I6-A8 PolarHBondContact O-N 3.44Å
9P89Confident67.9Low1 Ų180.2 Ų80.21%0.00651%0.512CS..PPolyproline II helixtrans-69.8155.5176.924.7-28.6000112.1I34 Q35 I69 A107 S117 V120P9-I34 HydrophobicContact CB-CG2 3.75Å; P9-I34 HydrophobicContact CG-CG2 4.45Å; P9-Q35 CarbonylContact C-O 3.52Å; P9-Q35 WeakPolarHBondContact CA-O 3.47Å; P9-Q35 WeakPolarHBondContact CB-O 3.23Å; P9-I69 HydrophobicContact CB-CD1 4.2Å; P9-I69 HydrophobicContact CB-CG2 4.49Å; P9-A107 HydrophobicContact CG-CB 3.8Å; P9-S117 WeakPolarHBondContact CD-OG 3.33Å; P9-V120 HydrophobicContact CG-CG1 3.81Å; P9-V120 WeakPolarHBondContact O-CG1 3.31Å
10L90.2Very high67Low93 Ų9388.8 Ų88.849%0.48753%0.534SS..EExtended strand (participates in β ladder)trans-106.6125176.7-62.7175.5000110I12 I34 Q35L10-I12 HydrophobicContact CB-CD1 4.08Å; L10-I12 HydrophobicContact CB-CG1 4.21Å; L10-I34 CarbonylContact O-C 3.55Å; L10-I34 VanDerWaalsContact O-CA 3.32Å; L10-I34 WeakPolarHBondContact O-CA 3.45Å; L10-Q35 PolarHBondContact N-O 3.36Å; L10-Q35 PolarHBondContact O-N 3.44Å
11I91Very high66.5Low9 Ų988.8 Ų88.85%0.04653%0.527CS..EExtended strand (participates in β ladder)trans-99.9116.2178.2-54.9165.1000109.1V32 C33 I34 V105 A107 V120 K122 F124I11-V32 HydrophobicContact CG2-CG1 3.52Å; I11-C33 CarbonylContact C-O 3.58Å; I11-C33 WeakPolarHBondContact CA-O 3.49Å; I11-I34 HydrophobicContact CG1-CG1 4.33Å; I11-I34 HydrophobicContact CG1-CG2 4.23Å; I11-V105 HydrophobicContact CD1-CB 4.01Å; I11-V105 HydrophobicContact CD1-CG1 3.75Å; I11-V105 WeakPolarHBondContact CD1-O 2.82Å; I11-V105 HydrophobicContact CG1-CG1 4.34Å; I11-V105 HydrophobicContact CG2-CB 4.28Å; I11-V105 HydrophobicContact CG2-CG1 4.1Å; I11-A107 HydrophobicContact CD1-CB 4.32Å; I11-V120 HydrophobicContact CD1-CG1 3.68Å; I11-V120 HydrophobicContact CG1-CG1 4.03Å; I11-K122 HydrophobicContact CB-CB 4Å; I11-K122 HydrophobicContact CB-CD 3.92Å; I11-K122 HydrophobicContact CD1-CB 3.84Å; I11-K122 HydrophobicContact CG2-CB 4.15Å; I11-K122 HydrophobicContact CG2-CD 4.07Å; I11-K122 WeakPolarHBondContact O-CD 3.39Å; I11-K122 PolarHBondContact O-NZ 3.43Å; I11-F124 HydrophobicContact CG2-CE2 3.7Å; I11-F124 HydrophobicContact CG2-CZ 3.89Å
12I89.1Confident67.6Low45 Ų4580.8 Ų80.823%0.23149%0.494CS..EExtended strand (participates in β ladder)trans-137.3128.1-167.8-49.3177.1000110.3L10 C33L10-I12 HydrophobicContact CB-CD1 4.08Å; L10-I12 HydrophobicContact CB-CG1 4.21Å; I12-C33 PolarHBondContact N-O 3.3Å; I12-C33 PolarHBondContact O-N 2.82Å
13P86.9Confident69.2Low17 Ų1782.9 Ų82.911%0.1149%0.486CS..EExtended strand (participates in β ladder)trans-70.7139.1169.731.1-33.7000110.9S15 K23 I26 T30 P31 F124P13-S15 PolarHBondContact O-N 3.25Å; P13-K23 HydrophobicContact CG-CG 4.26Å; P13-I26 HydrophobicContact CB-CG2 3.78Å; P13-I26 HydrophobicContact CG-CG2 4.27Å; P13-T30 HydrophobicContact CB-CG2 4.04Å; P13-P31 CarbonylContact C-O 3.59Å; P13-F124 HydrophobicContact CB-CE1 4.42Å; P13-F124 HydrophobicContact CG-CE1 4.34Å
14I82.9Confident71.1Confident66 Ų6680.8 Ų80.834%0.33846%0.462SS..  trans-90.493.6171.7-46.7176.6000106.4P31 C33 P95I14-P31 HydrophobicContact CB-CB 4.35Å; I14-P31 HydrophobicContact CB-CG 4.09Å; I14-P31 HydrophobicContact CD1-CB 3.88Å; I14-P31 HydrophobicContact CD1-CG 4.17Å; I14-P31 HydrophobicContact CG1-CB 4.31Å; I14-P31 PolarHBondContact N-O 3.02Å; I14-P31 WeakPolarHBondContact O-CD 3.4Å; I14-C33 HydrophobicContact CD1-CB 4.48Å; I14-C33 WeakPolarHBondContact CD1-SG 3.38Å; I14-C33 HydrophobicContact CG1-CB 4.25Å; I14-C33 VanDerWaalsContact CG1-SG 3.52Å; I14-P95 HydrophobicContact CD1-CB 3.85Å; I14-P95 HydrophobicContact CD1-CG 3.75Å
15S73.8Confident72.4Confident87 Ų8786.1 Ų86.161%0.60847%0.469SS*.  trans-99.4118.5174.552.70000109.6P13P13-S15 PolarHBondContact O-N 3.25Å
16E54.5Low73.5Confident194 Ų19482.3 Ų82.391%0.90744%0.437SS*.  trans-80.7114.8159.7-68.5179-178.400107.3
17G48.9Very low73.8Confident55 Ų5582.7 Ų82.757%0.56744%0.439SS*.SBendtrans100.8138.7170.500000116.3T19G17-T19 PolarHBondContact O-N 3.17Å
18V45.1Very low73.9Confident146 Ų14681.2 Ų81.289%0.88543%0.428SS*.  trans-5997.8177.8177.70000110.1
19T45.1Very low73.9Confident99 Ų9988.9 Ų88.961%0.60745%0.449SS*.  trans-127.8132.6157.157.30000109.9G17 K21G17-T19 PolarHBondContact O-N 3.17Å; T19-K21 PolarHBondContact O-N 2.99Å
20R49.9Very low73.8Confident253 Ų25390 Ų9096%0.95546%0.456SS*.  trans-69.929-178.8-58-178.3-178.3-153.80.9112.8
21K56.3Low73.6Confident88 Ų8887.4 Ų87.438%0.38345%0.445SS..  trans-76.2138.6176.2-70.2-177.2-176.4178.20108.4T19 K23 D27T19-K21 PolarHBondContact O-N 2.99Å; K21-K23 PolarHBondContact O-N 3.35Å; K21-D27 IonicContact NZ-OD1 2.74Å; K21-D27 PolarHBondContact NZ-OD1 3.27Å; K21-D27 VanDerWaalsContact NZ-OD1 3.17Å; K21-D27 IonicContact NZ-OD2 3.17Å; K21-D27 PolarHBondContact NZ-OD2 2.72Å
22P60.7Low73.6Confident80 Ų8087 Ų8752%0.51944%0.443SS..  trans-56.9142.1174.120.7-29.1000109.9T24 R25P22-T24 PolarHBondContact O-N 3.33Å; P22-R25 HydrophobicContact CG-CB 4Å; P22-R25 PolarHBondContact O-N 3.31Å
23K70.8Confident73.6Confident137 Ų13785.8 Ų85.860%0.59644%0.438SS*.THydrogen-bonded Turntrans-56.9-5.9-173.6-164.1168.1-175169.90115.4P13 K21P13-K23 HydrophobicContact CG-CG 4.26Å; K21-K23 PolarHBondContact O-N 3.35Å
24T81.7Confident73.7Confident68 Ų6885.1 Ų85.142%0.41743%0.433SS..THydrogen-bonded Turntrans-102.6-13.8176.952.70000113.3P22 F124 S125P22-T24 PolarHBondContact O-N 3.33Å; T24-F124 CarbonylContact O-C 3.46Å; T24-F124 WeakPolarHBondContact O-CA 3.38Å; T24-S125 PolarHBondContact O-N 3.45Å
25R84.3Confident73.8Confident153 Ų15386.6 Ų86.658%0.57744%0.439SS*.EExtended strand (participates in β ladder)trans-100.8115.8176.4-171.5175.2178.4-179.8-0.8109P22 S125P22-R25 HydrophobicContact CG-CB 4Å; P22-R25 PolarHBondContact O-N 3.31Å; R25-S125 WeakPolarHBondContact CA-O 3.33Å
26I87.6Confident74.1Confident7 Ų784.8 Ų84.84%0.03643%0.426CS..EExtended strand (participates in β ladder)trans-133.2171.8-178.266172.2000109.2P13 T30 V32 L98 F124 S125 V126 G127P13-I26 HydrophobicContact CB-CG2 3.78Å; P13-I26 HydrophobicContact CG-CG2 4.27Å; I26-T30 HydrophobicContact CB-CG2 4.14Å; I26-T30 HydrophobicContact CG2-CG2 4.2Å; I26-V32 HydrophobicContact CD1-CG2 3.68Å; I26-L98 HydrophobicContact CD1-CD1 3.92Å; I26-L98 HydrophobicContact CD1-CG 4.31Å; I26-F124 HydrophobicContact CD1-CB 4.25Å; I26-F124 HydrophobicContact CD1-CD1 3.81Å; I26-F124 HydrophobicContact CD1-CE1 4.34Å; I26-F124 HydrophobicContact CD1-CG 4.09Å; I26-F124 HydrophobicContact CG1-CB 4.29Å; I26-F124 HydrophobicContact CG1-CD1 4.09Å; I26-F124 HydrophobicContact CG1-CG 4.48Å; I26-F124 HydrophobicContact CG2-CD1 4.01Å; I26-F124 HydrophobicContact CG2-CE1 4.29Å; I26-S125 PolarHBondContact N-O 2.47Å; I26-S125 VanDerWaalsContact O-O 3.12Å; I26-V126 HydrophobicContact CD1-CG2 4.23Å; I26-V126 HydrophobicContact CG1-CB 4.48Å; I26-V126 HydrophobicContact CG1-CG1 4.4Å; I26-V126 HydrophobicContact CG1-CG2 3.94Å; I26-V126 CarbonylContact O-C 3.57Å; I26-V126 VanDerWaalsContact O-CA 3.23Å; I26-V126 WeakPolarHBondContact O-CA 3.41Å; I26-G127 PolarHBondContact O-N 3.32Å
27D87.8Confident74.3Confident44 Ų4477.2 Ų77.224%0.23540%0.4CS..EExtended strand (participates in β ladder)trans-110162.3176.4-53.3-50.8000109.5K21 R29 T30 G127 V129K21-D27 IonicContact NZ-OD1 2.74Å; K21-D27 PolarHBondContact NZ-OD1 3.27Å; K21-D27 VanDerWaalsContact NZ-OD1 3.17Å; K21-D27 IonicContact NZ-OD2 3.17Å; K21-D27 PolarHBondContact NZ-OD2 2.72Å; D27-R29 PolarHBondContact O-N 3.09Å; D27-T30 PolarHBondContact N-OG1 3.13Å; D27-T30 WeakPolarHBondContact O-CB 3.42Å; D27-T30 PolarHBondContact O-N 3.13Å; D27-T30 PolarHBondContact O-OG1 2.87Å; D27-G127 CarbonylContact C-O 3.42Å; D27-G127 WeakPolarHBondContact CA-O 3.02Å; D27-V129 HydrophobicContact CB-CG2 3.57Å
28T88.9Confident74.5Confident29 Ų2979.1 Ų79.118%0.17840%0.401CS..THydrogen-bonded Turntrans-59-18.3-177.345.80000114A100 V126 G127 V129T28-A100 HydrophobicContact CG2-CB 3.81Å; T28-V126 HydrophobicContact CG2-CG1 3.71Å; T28-G127 WeakPolarHBondContact CG2-O 3.24Å; T28-G127 PolarHBondContact N-O 3.28Å; T28-V129 PolarHBondContact OG1-N 2.99Å
29R87.6Confident74.1Confident195 Ų19577.3 Ų77.374%0.73639%0.394SS*.THydrogen-bonded Turntrans-88.5-10.7175.9-61.6-17968.6171.40.5113.8D27 P31 V129D27-R29 PolarHBondContact O-N 3.09Å; R29-P31 VanDerWaalsContact O-CD 3.31Å; R29-P31 WeakPolarHBondContact O-CD 3.11Å; R29-V129 HydrophobicContact CG-CB 4.35Å; R29-V129 HydrophobicContact CG-CG2 4.19Å
30T86.4Confident73.5Confident24 Ų2480 Ų8015%0.14741%0.405CS..  trans-80.9114.4-178.6-50.70000110.3P13 I26 D27P13-T30 HydrophobicContact CB-CG2 4.04Å; I26-T30 HydrophobicContact CB-CG2 4.14Å; I26-T30 HydrophobicContact CG2-CG2 4.2Å; D27-T30 PolarHBondContact N-OG1 3.13Å; D27-T30 WeakPolarHBondContact O-CB 3.42Å; D27-T30 PolarHBondContact O-N 3.13Å; D27-T30 PolarHBondContact O-OG1 2.87Å
31P87Confident72.9Confident40 Ų4074.6 Ų74.626%0.2639%0.391SS..  trans-69.1146.9175.85.93.2000111.6P13 I14 R29 P95 L97P13-P31 CarbonylContact C-O 3.59Å; I14-P31 HydrophobicContact CB-CB 4.35Å; I14-P31 HydrophobicContact CB-CG 4.09Å; I14-P31 HydrophobicContact CD1-CB 3.88Å; I14-P31 HydrophobicContact CD1-CG 4.17Å; I14-P31 HydrophobicContact CG1-CB 4.31Å; I14-P31 PolarHBondContact N-O 3.02Å; I14-P31 WeakPolarHBondContact O-CD 3.4Å; R29-P31 VanDerWaalsContact O-CD 3.31Å; R29-P31 WeakPolarHBondContact O-CD 3.11Å; P31-P95 HydrophobicContact CB-CB 3.88Å; P31-L97 HydrophobicContact CB-CD2 4.44Å
32V89.7Confident71.7Confident0 Ų077.7 Ų77.70%041%0.41CS..EExtended strand (participates in β ladder)trans-113.4124.9173.91760000110I11 I26 P95 I96 L98 F124I11-V32 HydrophobicContact CG2-CG1 3.52Å; I26-V32 HydrophobicContact CD1-CG2 3.68Å; V32-P95 WeakPolarHBondContact O-CA 3.47Å; V32-I96 HydrophobicContact CB-CG1 4.2Å; V32-I96 PolarHBondContact N-O 3.07Å; V32-I96 PolarHBondContact O-N 2.81Å; V32-L98 HydrophobicContact CG2-CD1 3.88Å; V32-L98 HydrophobicContact CG2-CG 3.93Å; V32-F124 HydrophobicContact CG1-CE2 4.14Å; V32-F124 HydrophobicContact CG1-CZ 4.05Å; V32-F124 HydrophobicContact CG2-CE1 4.45Å; V32-F124 HydrophobicContact CG2-CE2 4.38Å; V32-F124 HydrophobicContact CG2-CZ 4.14Å
33C88.9Confident70.2Confident19 Ų1980.7 Ų80.713%0.12842%0.417CS..EExtended strand (participates in β ladder)trans-89.8147.7170.9-84.40000112.3I11 I12 I14 Q35 Y92I11-C33 CarbonylContact C-O 3.58Å; I11-C33 WeakPolarHBondContact CA-O 3.49Å; I12-C33 PolarHBondContact N-O 3.3Å; I12-C33 PolarHBondContact O-N 2.82Å; I14-C33 HydrophobicContact CD1-CB 4.48Å; I14-C33 WeakPolarHBondContact CD1-SG 3.38Å; I14-C33 HydrophobicContact CG1-CB 4.25Å; I14-C33 VanDerWaalsContact CG1-SG 3.52Å; C33-Q35 HydrophobicContact CB-CG 4.39Å; C33-Y92 WeakPolarHBondContact CA-OH 3.16Å
34I90.1Very high68.4Low3 Ų380.3 Ų80.32%0.01543%0.428CS..EExtended strand (participates in β ladder)trans-123.2104.8167.4-48.4179.7000107.9P9 L10 I11 I69 F71 Y92 I96 V105 A107P9-I34 HydrophobicContact CB-CG2 3.75Å; P9-I34 HydrophobicContact CG-CG2 4.45Å; L10-I34 CarbonylContact O-C 3.55Å; L10-I34 VanDerWaalsContact O-CA 3.32Å; L10-I34 WeakPolarHBondContact O-CA 3.45Å; I11-I34 HydrophobicContact CG1-CG1 4.33Å; I11-I34 HydrophobicContact CG1-CG2 4.23Å; I34-I69 HydrophobicContact CB-CG2 4.47Å; I34-I69 HydrophobicContact CG2-CD1 4.34Å; I34-I69 HydrophobicContact CG2-CG2 3.72Å; I34-F71 HydrophobicContact CD1-CB 3.7Å; I34-F71 HydrophobicContact CD1-CD1 4.12Å; I34-F71 HydrophobicContact CD1-CD2 4.23Å; I34-F71 HydrophobicContact CD1-CG 3.76Å; I34-Y92 HydrophobicContact CB-CD1 4.28Å; I34-Y92 HydrophobicContact CB-CD2 3.81Å; I34-Y92 HydrophobicContact CB-CE1 4.24Å; I34-Y92 HydrophobicContact CB-CE2 3.74Å; I34-Y92 HydrophobicContact CB-CG 4.08Å; I34-Y92 HydrophobicContact CD1-CD2 3.76Å; I34-Y92 HydrophobicContact CD1-CE2 4.15Å; I34-Y92 HydrophobicContact CD1-CG 4.46Å; I34-Y92 HydrophobicContact CG1-CD2 3.81Å; I34-Y92 HydrophobicContact CG1-CE2 3.72Å; I34-Y92 VanDerWaalsContact N-CZ 3.26Å; I34-Y92 PolarHBondContact N-OH 2.89Å; I34-Y92 VanDerWaalsContact N-OH 3.12Å; I34-Y92 WeakPolarHBondContact O-CD1 3.35Å; I34-Y92 WeakPolarHBondContact O-CE1 3.36Å; I34-I96 HydrophobicContact CD1-CD1 4.42Å; I34-V105 HydrophobicContact CD1-CG1 4.09Å; I34-A107 HydrophobicContact CD1-CB 4.3Å; I34-A107 HydrophobicContact CG2-CB 3.91Å
35Q85.4Confident66Low97 Ų9781.5 Ų81.545%0.45345%0.445SS..EExtended strand (participates in β ladder)trans-99.9141.8-174.2-65.1177.8-16.900111.1P9 L10 C33P9-Q35 CarbonylContact C-O 3.52Å; P9-Q35 WeakPolarHBondContact CA-O 3.47Å; P9-Q35 WeakPolarHBondContact CB-O 3.23Å; L10-Q35 PolarHBondContact N-O 3.36Å; L10-Q35 PolarHBondContact O-N 3.44Å; C33-Q35 HydrophobicContact CB-CG 4.39Å
36S80.3Confident63.4Low50 Ų5079.9 Ų79.935%0.3546%0.457SS..  trans-70.9132.3167.650.50000109.6T38S36-T38 PolarHBondContact O-N 3.28Å
37G57.7Low60.9Low34 Ų3486.9 Ų86.935%0.35150%0.495SS..SBendtrans-65.17.4-178.900000116.1
38T52.6Low58.2Low96 Ų9692 Ų9259%0.58952%0.517SS*.  trans-97.177.3170.254.90000109.1S36 N40S36-T38 PolarHBondContact O-N 3.28Å; T38-N40 PolarHBondContact O-N 2.9Å
39S37.4Very low55.9Low107 Ų10797.4 Ų97.475%0.74854%0.543SS*.  trans-81.9103.2171-1720000109.1
40N32.7Very low53.3Low157 Ų15796.2 Ų96.284%0.8455%0.546SS*.  trans-145.1100.7139.6-95-18.4000107.6T38T38-N40 PolarHBondContact O-N 2.9Å
41H36.4Very low50.8Low139 Ų139100.4 Ų100.464%0.64458%0.576SS**  trans54.598.5147.9-144.3-80.7000118.5Q43H41-Q43 PolarHBondContact CE1-OE1 3.01Å
42I32.4Very low48.1Very low153 Ų153101.7 Ų101.779%0.78560%0.597SS**  trans-137.896.1139.5-57.1-177.6000107.2
43Q29.4Very low45.4Very low143 Ų143108.8 Ų108.867%0.66864%0.64SS**  trans-59.3145.9154.2-71.9178.8-52.100108.4H41 A45H41-Q43 PolarHBondContact CE1-OE1 3.01Å; Q43-A45 PolarHBondContact O-N 3.41Å; Q43-A45 VanDerWaalsContact O-N 3.09Å
44P32.7Very low43.2Very low128 Ų128113.1 Ų113.183%0.83167%0.671SS**  trans-64114.7169.226.4-29.8000108.2S46P44-S46 PolarHBondContact O-N 2.74Å
45A30Very low40.4Very low93 Ų93120.4 Ų120.477%0.76971%0.71SS**PPolyproline II helixtrans-60.8118.5169.100000107.9Q43Q43-A45 PolarHBondContact O-N 3.41Å; Q43-A45 VanDerWaalsContact O-N 3.09Å
46S31Very low38.4Very low120 Ų120121.9 Ų121.984%0.83973%0.728SS**PPolyproline II helixtrans-56.4137.6170.2-165.10000109.6P44 H48P44-S46 PolarHBondContact O-N 2.74Å; S46-H48 PolarHBondContact O-N 3.17Å
47N34.1Very low36Very low154 Ų154122.5 Ų122.582%0.82474%0.742SS**PPolyproline II helixtrans-58118.2-179.1-71-36.8000111
48H32.6Very low35.2Very low152 Ų152126.7 Ų126.770%0.70476%0.763SS**  trans-104.4108.2154.7-162.9-83000108.4S46 Q50S46-H48 PolarHBondContact O-N 3.17Å; H48-Q50 PolarHBondContact O-N 3.49Å
49I39.9Very low34.8Very low142 Ų142128.3 Ų128.373%0.72878%0.775SS**  trans-63.8123168.8-63.3167.4000107.4
50Q33.7Very low34.7Very low169 Ų169126.6 Ų126.679%0.7978%0.775SS**  trans-153.3136.2148.9-113.516320.500111.5H48H48-Q50 PolarHBondContact O-N 3.49Å
51S32.9Very low34.9Very low112 Ų112125.5 Ų125.578%0.78377%0.773SS**  trans-77.7151.5-163.7-43.20000113.6
52G30.3Very low35.1Very low67 Ų67124.1 Ų124.169%0.69178%0.777SS**  trans70.6109.4141.400000118.4
53T33.5Very low35.1Very low149 Ų149118.5 Ų118.591%0.91476%0.756SS**  167.1139.3108.935.60000110.3
54S41.2Very low35.9Very low110 Ų110116.8 Ų116.877%0.76976%0.758SS**  trans-70.1125.9-179.648.10000112.4
55N33.2Very low36.8Very low156 Ų156116.3 Ų116.383%0.83476%0.755SS**  trans-152.5146.5150.6-92.1-40.7000110.1G57N55-G57 PolarHBondContact O-N 3.3Å
56P41.8Very low38.5Very low128 Ų128112.8 Ų112.883%0.83173%0.728SS**  trans-75.4114.5-17830.4-30.6000109.7
57G30.4Very low40.9Very low64 Ų64109.2 Ų109.266%0.6670%0.701SS**PPolyproline II helixtrans-73.1158.4-179.600000114N55N55-G57 PolarHBondContact O-N 3.3Å
58P41.5Very low43.5Very low121 Ų121105.4 Ų105.479%0.78668%0.68SS**PPolyproline II helixtrans-68163.8-177.530.3-34.5000112.5G60P58-G60 PolarHBondContact O-N 3.12Å
59P44Very low46.3Very low130 Ų13098.9 Ų98.984%0.84465%0.65SS**SBendtrans-60125.5-170.122.7-32.4000112.5V61P59-V61 PolarHBondContact O-N 3.36Å
60G34.5Very low48.7Very low72 Ų7293.3 Ų93.374%0.74262%0.62SS**  trans-5.799.2173.500000117.6P58 P62P58-G60 PolarHBondContact O-N 3.12Å; G60-P62 WeakPolarHBondContact O-CD 3.39Å
61V37Very low51.5Low133 Ų13385.4 Ų85.481%0.80658%0.583SS**  trans-60123154.6-178.40000107.5P59 G63P59-V61 PolarHBondContact O-N 3.36Å; V61-G63 PolarHBondContact O-N 2.92Å
62P41.9Very low54.4Low111 Ų11180.1 Ų80.172%0.72155%0.546SS*.  trans-60.7115.2175.1-18.329.6000109G60G60-P62 WeakPolarHBondContact O-CD 3.39Å
63G32.4Very low57.3Low34 Ų3478.7 Ų78.735%0.35152%0.523SS..  trans-54.1157.9178.400000113.4V61V61-G63 PolarHBondContact O-N 2.92Å
64P44.7Very low59.7Low108 Ų10876.9 Ų76.970%0.70151%0.508SS*.SBendtrans-53.9156.3-176.118.5-29.4000113.2G66P64-G66 PolarHBondContact O-N 2.87Å
65P53.2Low61.7Low118 Ų11872.5 Ų72.577%0.76648%0.479SS*.  trans-57.1109.8-148.620.7-32.7000112.9V67P65-V67 VanDerWaalsContact C-N 3.33Å; P65-V67 PolarHBondContact O-N 2.85Å
66G65.2Low64.2Low19 Ų1967 Ų6720%0.19645%0.453CS..  trans-72.879.2-175.100000113.3P64 T111 R112P64-G66 PolarHBondContact O-N 2.87Å; G66-T111 CarbonylContact O-C 3.16Å; G66-T111 WeakPolarHBondContact O-CA 3.36Å; G66-R112 PolarHBondContact O-N 3.5Å; G66-R112 VanDerWaalsContact O-N 3.07Å
67V81.3Confident66.3Low45 Ų4568 Ų6827%0.27345%0.445SS..EExtended strand (participates in β ladder)trans-95.2118.4167.9-1760000108.8P65 A109 V110 T111P65-V67 VanDerWaalsContact C-N 3.33Å; P65-V67 PolarHBondContact O-N 2.85Å; V67-A109 HydrophobicContact CG1-CB 3.71Å; V67-V110 CarbonylContact C-O 3.49Å; V67-V110 WeakPolarHBondContact CA-O 3.21Å; V67-T111 HydrophobicContact CG2-CG2 3.82Å
68L88.3Confident69.1Low74 Ų7465.3 Ų65.339%0.38742%0.415SS..EExtended strand (participates in β ladder)trans-98136.7171.1-58.7-174.3000109.4F70 A109 V110L68-F70 HydrophobicContact CB-CD2 4.47Å; L68-F70 HydrophobicContact CB-CE2 3.76Å; L68-F70 HydrophobicContact CB-CZ 4.3Å; L68-F70 HydrophobicContact CD1-CE2 4.43Å; L68-F70 HydrophobicContact CD1-CZ 4.28Å; L68-A109 CarbonylContact O-C 3.58Å; L68-V110 PolarHBondContact N-O 2.89Å; L68-V110 PolarHBondContact O-N 2.97Å
69I90.6Very high71Confident15 Ų1562.5 Ų62.58%0.07740%0.396CS..EExtended strand (participates in β ladder)trans-104.7131174.4-62.8171.1000108.6P9 I34 Y92 A107 V108 A109P9-I69 HydrophobicContact CB-CD1 4.2Å; P9-I69 HydrophobicContact CB-CG2 4.49Å; I34-I69 HydrophobicContact CB-CG2 4.47Å; I34-I69 HydrophobicContact CG2-CD1 4.34Å; I34-I69 HydrophobicContact CG2-CG2 3.72Å; I69-Y92 PolarHBondContact O-N 2.8Å; I69-A107 HydrophobicContact CG2-CB 4.27Å; I69-V108 WeakPolarHBondContact CA-O 3.33Å; I69-A109 HydrophobicContact CG1-CB 4.31Å
70F91.8Very high72.2Confident24 Ų2457.1 Ų57.111%0.10536%0.363CS..EExtended strand (participates in β ladder)trans-115.2138.7173.7-64.6-91.6000109.5L68 P78 A80 R90 K91 A107 V108 V110L68-F70 HydrophobicContact CB-CD2 4.47Å; L68-F70 HydrophobicContact CB-CE2 3.76Å; L68-F70 HydrophobicContact CB-CZ 4.3Å; L68-F70 HydrophobicContact CD1-CE2 4.43Å; L68-F70 HydrophobicContact CD1-CZ 4.28Å; F70-P78 HydrophobicContact CB-CB 4.22Å; F70-A80 HydrophobicContact CD2-CB 3.65Å; F70-A80 HydrophobicContact CE2-CB 3.64Å; F70-A80 HydrophobicContact CG-CB 4.24Å; F70-A80 HydrophobicContact CZ-CB 4.23Å; F70-R90 CarbonylContact C-O 3.51Å; F70-R90 WeakPolarHBondContact CA-O 3.38Å; F70-K91 HydrophobicContact CD1-CB 4.43Å; F70-K91 HydrophobicContact CE1-CB 4.29Å; F70-A107 CarbonylContact O-C 3.57Å; F70-A107 VanDerWaalsContact O-CA 3.23Å; F70-A107 WeakPolarHBondContact O-CA 3.02Å; F70-V108 HydrophobicContact CB-CG1 4.09Å; F70-V108 PolarHBondContact N-O 2.88Å; F70-V108 PolarHBondContact O-N 2.96Å; F70-V110 HydrophobicContact CD2-CB 4.46Å; F70-V110 HydrophobicContact CD2-CG2 4.12Å; F70-V110 HydrophobicContact CE2-CB 4.32Å; F70-V110 HydrophobicContact CE2-CG2 4.4Å
71F92.9Very high73.5Confident3 Ų355.1 Ų55.11%0.01334%0.342CS..EExtended strand (participates in β ladder)trans-140.9163.3-176.476.9-82.7000113.6I34 L73 S89 R90 Y92 I96 R106 A107I34-F71 HydrophobicContact CD1-CB 3.7Å; I34-F71 HydrophobicContact CD1-CD1 4.12Å; I34-F71 HydrophobicContact CD1-CD2 4.23Å; I34-F71 HydrophobicContact CD1-CG 3.76Å; F71-L73 HydrophobicContact CD2-CD2 4.05Å; F71-L73 HydrophobicContact CD2-CG 4.4Å; F71-L73 HydrophobicContact CE2-CD2 3.98Å; F71-L73 HydrophobicContact CE2-CG 4.11Å; F71-S89 WeakPolarHBondContact O-CA 3.43Å; F71-R90 HydrophobicContact CD1-CB 4.07Å; F71-R90 WeakPolarHBondContact CD1-O 3.42Å; F71-R90 HydrophobicContact CE1-CB 3.58Å; F71-R90 HydrophobicContact CE2-CB 4.22Å; F71-R90 HydrophobicContact CZ-CB 3.67Å; F71-R90 HydrophobicContact CZ-CG 4.47Å; F71-R90 PolarHBondContact N-O 2.81Å; F71-R90 PolarHBondContact O-N 2.88Å; F71-Y92 HydrophobicContact CD1-CD2 4.35Å; F71-Y92 HydrophobicContact CE1-CD2 4.28Å; F71-I96 HydrophobicContact CD2-CD1 3.9Å; F71-I96 HydrophobicContact CE2-CD1 3.39Å; F71-I96 HydrophobicContact CZ-CD1 3.84Å; F71-I96 HydrophobicContact CZ-CG2 3.95Å; F71-R106 CarbonylContact C-O 3.55Å; F71-R106 WeakPolarHBondContact CA-O 3.37Å; F71-R106 VanDerWaalsContact CB-O 3.22Å; F71-R106 WeakPolarHBondContact CB-O 3.23Å; F71-A107 HydrophobicContact CB-CB 4.04Å
72T92.3Very high74.2Confident1 Ų158.2 Ų58.21%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-136.4157.4175.564.60000109D74 S76 P78 G88 V105 R106T72-D74 WeakPolarHBondContact CB-OD1 3.16Å; T72-S76 WeakPolarHBondContact CG2-OG 3.4Å; T72-S76 PolarHBondContact OG1-O 2.76Å; T72-P78 HydrophobicContact CG2-CB 4.01Å; T72-G88 WeakPolarHBondContact CG2-O 3.18Å; T72-V105 WeakPolarHBondContact O-CA 3.45Å; T72-R106 PolarHBondContact N-O 2.81Å; T72-R106 PolarHBondContact O-N 2.86Å
73L92.4Very high74.4Confident38 Ų3864.6 Ų64.620%0.19936%0.357CS..SBendtrans-114.3-13.2180-62.4-175.1000113.8F71 I96 L98 V103 S104 V105F71-L73 HydrophobicContact CD2-CD2 4.05Å; F71-L73 HydrophobicContact CD2-CG 4.4Å; F71-L73 HydrophobicContact CE2-CD2 3.98Å; F71-L73 HydrophobicContact CE2-CG 4.11Å; L73-I96 HydrophobicContact CD2-CD1 4.06Å; L73-L98 HydrophobicContact CD1-CD2 4.41Å; L73-L98 HydrophobicContact CD2-CD2 3.72Å; L73-V103 HydrophobicContact CB-CG1 4.15Å; L73-V103 HydrophobicContact CD2-CG1 4.23Å; L73-S104 CarbonylContact C-O 3.55Å; L73-S104 WeakPolarHBondContact CA-O 3.44Å; L73-S104 PolarHBondContact O-N 2.84Å; L73-S104 VanDerWaalsContact O-O 3.1Å; L73-V105 HydrophobicContact CD2-CB 4.43Å; L73-V105 HydrophobicContact CD2-CG1 4.3Å; L73-V105 HydrophobicContact CD2-CG2 3.79Å
74D83.9Confident75.2Confident111 Ų11166.5 Ų66.559%0.59438%0.377SS*.BIsolated β-bridgetrans-90.9-3.7-178.964.5-17.5000112.9T72 S76T72-D74 WeakPolarHBondContact CB-OD1 3.16Å; D74-S76 VanDerWaalsContact C-N 3.34Å; D74-S76 VanDerWaalsContact CG-OG 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.32Å; D74-S76 PolarHBondContact OD1-N 2.76Å; D74-S76 PolarHBondContact OD1-OG 2.78Å; D74-S76 WeakPolarHBondContact OD2-CB 3.38Å; D74-S76 PolarHBondContact OD2-OG 2.91Å
75G81.6Confident75.6Confident17 Ų1766.4 Ų66.418%0.17538%0.379CS..SBendtrans82.15.9-174.400000114.6S104 R106G75-S104 PolarHBondContact N-O 2.91Å; G75-R106 VanDerWaalsContact O-CD 3.24Å; G75-R106 WeakPolarHBondContact O-CD 3.22Å; G75-R106 PolarHBondContact O-NE 3.29Å; G75-R106 PolarHBondContact O-NH1 2.79Å
76S85.6Confident75.6Confident41 Ų4165.4 Ų65.429%0.28736%0.364SS..PPolyproline II helixtrans-67.2158.2168.865.70000111.1T72 D74 R106T72-S76 WeakPolarHBondContact CG2-OG 3.4Å; T72-S76 PolarHBondContact OG1-O 2.76Å; D74-S76 VanDerWaalsContact C-N 3.34Å; D74-S76 VanDerWaalsContact CG-OG 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.32Å; D74-S76 PolarHBondContact OD1-N 2.76Å; D74-S76 PolarHBondContact OD1-OG 2.78Å; D74-S76 WeakPolarHBondContact OD2-CB 3.38Å; D74-S76 PolarHBondContact OD2-OG 2.91Å; S76-R106 WeakPolarHBondContact O-CD 3.36Å
77K87.7Confident75.5Confident150 Ų15071.7 Ų71.765%0.65240%0.398SS*.PPolyproline II helixtrans-74.7125.2177.9-176.3178.7177.9-178.90108.9V79 V119K77-V79 PolarHBondContact O-N 2.8Å; K77-V119 HydrophobicContact CG-CG2 4.19Å
78P87.6Confident74.8Confident6 Ų671.2 Ų71.24%0.03940%0.402CS..PPolyproline II helixtrans-64.4132.5177.225.1-32.5000110.5F70 T72 S89 V108 V119F70-P78 HydrophobicContact CB-CB 4.22Å; T72-P78 HydrophobicContact CG2-CB 4.01Å; P78-S89 WeakPolarHBondContact CA-OG 3.39Å; P78-S89 WeakPolarHBondContact CB-OG 3Å; P78-V108 HydrophobicContact CB-CG1 3.91Å; P78-V108 HydrophobicContact CG-CB 4.01Å; P78-V108 HydrophobicContact CG-CG1 3.67Å; P78-V119 HydrophobicContact CG-CG1 4.2Å; P78-V119 HydrophobicContact CG-CG2 4.49Å
79V82.6Confident74.7Confident62 Ų6268.5 Ų68.538%0.37639%0.39SS..  trans-109.4129.8177.2-1700000108.6K77 E86 S89K77-V79 PolarHBondContact O-N 2.8Å; V79-E86 WeakPolarHBondContact CB-OE2 3.25Å; V79-E86 WeakPolarHBondContact CG1-OE2 3.2Å; V79-S89 PolarHBondContact N-OG 3.05Å; V79-S89 PolarHBondContact O-OG 3.05Å
80A67.9Low74.5Confident18 Ų1873.8 Ų73.815%0.14941%0.409CS..  trans-93.9102176.300000109.2F70 V110 R116F70-A80 HydrophobicContact CD2-CB 3.65Å; F70-A80 HydrophobicContact CE2-CB 3.64Å; F70-A80 HydrophobicContact CG-CB 4.24Å; F70-A80 HydrophobicContact CZ-CB 4.23Å; A80-V110 HydrophobicContact CB-CB 4.29Å; A80-V110 HydrophobicContact CB-CG1 4.26Å; A80-V110 HydrophobicContact CB-CG2 3.59Å; A80-R116 PolarHBondContact O-NH2 2.78Å
81G62.4Low74.4Confident30 Ų3078.1 Ų78.131%0.30943%0.427SS..  trans-114.9140.8175.300000111.7
82Q52.5Low74.3Confident198 Ų19879.8 Ų79.893%0.92543%0.434SS*.SBendtrans-81.8129.3163.3-73.1-150.3-4.600108.6
83R46.1Very low74Confident244 Ų24486 Ų8692%0.92147%0.472SS*.SBendtrans74109.6-174.5-71.2-179.8166.7-170.7-4.3115.6
84G48.3Very low73.7Confident74 Ų7485.2 Ų85.276%0.76347%0.473SS*.SBendtrans72.281.1142.300000116.3E86G84-E86 PolarHBondContact O-N 3.02Å
85S52.6Low73.9Confident106 Ų10683.8 Ų83.874%0.74147%0.47SS*.  trans47.268150.7-168.70000115.4V87S85-V87 PolarHBondContact O-N 3.31Å; S85-V87 VanDerWaalsContact O-N 3.16Å
86E54Low74.4Confident97 Ų9783.8 Ų83.845%0.45347%0.465SS..  trans-61.6117.2157.5-67.5-168.6-169.700108V79 G84 G88 S89V79-E86 WeakPolarHBondContact CB-OE2 3.25Å; V79-E86 WeakPolarHBondContact CG1-OE2 3.2Å; G84-E86 PolarHBondContact O-N 3.02Å; E86-G88 PolarHBondContact O-N 2.86Å; E86-S89 PolarHBondContact O-N 3.25Å
87V62.6Low74.7Confident151 Ų15187 Ų8792%0.91548%0.479SS*.THydrogen-bonded Turntrans-46.7109.7-169.2177.80000110.4S85S85-V87 PolarHBondContact O-N 3.31Å; S85-V87 VanDerWaalsContact O-N 3.16Å
88G67.8Low74.9Confident35 Ų3580.1 Ų80.136%0.36145%0.449SS..THydrogen-bonded Turntrans109.8-26.9176.500000115.7T72 E86T72-G88 WeakPolarHBondContact CG2-O 3.18Å; E86-G88 PolarHBondContact O-N 2.86Å
89S84.9Confident75Confident18 Ų1883.5 Ų83.513%0.12647%0.471CS..  trans-97123.5-179.9-155.30000113.1F71 P78 V79 E86F71-S89 WeakPolarHBondContact O-CA 3.43Å; P78-S89 WeakPolarHBondContact CA-OG 3.39Å; P78-S89 WeakPolarHBondContact CB-OG 3Å; V79-S89 PolarHBondContact N-OG 3.05Å; V79-S89 PolarHBondContact O-OG 3.05Å; E86-S89 PolarHBondContact O-N 3.25Å
90R88.1Confident75.4Confident126 Ų12682.4 Ų82.448%0.47547%0.469SS..EExtended strand (participates in β ladder)trans-113.2138.2-175.1-63.4169.167.5-166.41.6110F70 F71F70-R90 CarbonylContact C-O 3.51Å; F70-R90 WeakPolarHBondContact CA-O 3.38Å; F71-R90 HydrophobicContact CD1-CB 4.07Å; F71-R90 WeakPolarHBondContact CD1-O 3.42Å; F71-R90 HydrophobicContact CE1-CB 3.58Å; F71-R90 HydrophobicContact CE2-CB 4.22Å; F71-R90 HydrophobicContact CZ-CB 3.67Å; F71-R90 HydrophobicContact CZ-CG 4.47Å; F71-R90 PolarHBondContact N-O 2.81Å; F71-R90 PolarHBondContact O-N 2.88Å
91K89.5Confident76.3Confident114 Ų11483.4 Ų83.450%0.49648%0.48SS..EExtended strand (participates in β ladder)trans-73.1130.2169.2-173.8-177.4-179.6-176.50109.2F70F70-K91 HydrophobicContact CD1-CB 4.43Å; F70-K91 HydrophobicContact CE1-CB 4.29Å
92Y89.4Confident77.7Confident39 Ų3991.3 Ų91.315%0.15350%0.501CS..  trans-75.6125.9174.6-175.3-103.3000110.3C33 I34 I69 F71 G94 I96C33-Y92 WeakPolarHBondContact CA-OH 3.16Å; I34-Y92 HydrophobicContact CB-CD1 4.28Å; I34-Y92 HydrophobicContact CB-CD2 3.81Å; I34-Y92 HydrophobicContact CB-CE1 4.24Å; I34-Y92 HydrophobicContact CB-CE2 3.74Å; I34-Y92 HydrophobicContact CB-CG 4.08Å; I34-Y92 HydrophobicContact CD1-CD2 3.76Å; I34-Y92 HydrophobicContact CD1-CE2 4.15Å; I34-Y92 HydrophobicContact CD1-CG 4.46Å; I34-Y92 HydrophobicContact CG1-CD2 3.81Å; I34-Y92 HydrophobicContact CG1-CE2 3.72Å; I34-Y92 VanDerWaalsContact N-CZ 3.26Å; I34-Y92 PolarHBondContact N-OH 2.89Å; I34-Y92 VanDerWaalsContact N-OH 3.12Å; I34-Y92 WeakPolarHBondContact O-CD1 3.35Å; I34-Y92 WeakPolarHBondContact O-CE1 3.36Å; I69-Y92 PolarHBondContact O-N 2.8Å; F71-Y92 HydrophobicContact CD1-CD2 4.35Å; F71-Y92 HydrophobicContact CE1-CD2 4.28Å; Y92-G94 WeakPolarHBondContact CE2-O 3.32Å; Y92-G94 VanDerWaalsContact CZ-C 3.42Å; Y92-G94 VanDerWaalsContact OH-C 3.24Å; Y92-G94 PolarHBondContact OH-O 2.85Å; Y92-I96 HydrophobicContact CE2-CG2 4.49Å
93T86.4Confident79.5Confident132 Ų13282.2 Ų82.281%0.8146%0.459SS*.  trans-125-7.6179.755.90000113.1
94G86Confident81.8Confident20 Ų2071.8 Ų71.821%0.20642%0.424CS..SBendtrans164179-176.500000111.5Y92Y92-G94 WeakPolarHBondContact CE2-O 3.32Å; Y92-G94 VanDerWaalsContact CZ-C 3.42Å; Y92-G94 VanDerWaalsContact OH-C 3.24Å; Y92-G94 PolarHBondContact OH-O 2.85Å
95P88.7Confident84Confident82 Ų8268.3 Ų68.353%0.53239%0.387SS..  trans-49.6138.9179.2-27.635.2000113.3I14 P31 V32I14-P95 HydrophobicContact CD1-CB 3.85Å; I14-P95 HydrophobicContact CD1-CG 3.75Å; P31-P95 HydrophobicContact CB-CB 3.88Å; V32-P95 WeakPolarHBondContact O-CA 3.47Å
96I91.9Very high86Confident16 Ų1667.4 Ų67.48%0.08237%0.368CS..BIsolated β-bridgetrans-119.1140.9-179.461.7176.8000111.4V32 I34 F71 L73 Y92 L98V32-I96 HydrophobicContact CB-CG1 4.2Å; V32-I96 PolarHBondContact N-O 3.07Å; V32-I96 PolarHBondContact O-N 2.81Å; I34-I96 HydrophobicContact CD1-CD1 4.42Å; F71-I96 HydrophobicContact CD2-CD1 3.9Å; F71-I96 HydrophobicContact CE2-CD1 3.39Å; F71-I96 HydrophobicContact CZ-CD1 3.84Å; F71-I96 HydrophobicContact CZ-CG2 3.95Å; L73-I96 HydrophobicContact CD2-CD1 4.06Å; Y92-I96 HydrophobicContact CE2-CG2 4.49Å; I96-L98 HydrophobicContact CD1-CD2 4.04Å; I96-L98 HydrophobicContact CG1-CD2 4.17Å
97L91.4Very high87.9Confident109 Ų10962.8 Ų62.857%0.57135%0.346SS*.PPolyproline II helixtrans-84.9141.6167.3-62.4177.8000109.6P31P31-L97 HydrophobicContact CB-CD2 4.44Å
98L92.8Very high89.3Confident6 Ų655.9 Ų55.93%0.03130%0.304CS..PPolyproline II helixtrans-100.8141.6178.4-59.2-166.7000110.2I26 V32 L73 I96 V103 V105 F124 V126I26-L98 HydrophobicContact CD1-CD1 3.92Å; I26-L98 HydrophobicContact CD1-CG 4.31Å; V32-L98 HydrophobicContact CG2-CD1 3.88Å; V32-L98 HydrophobicContact CG2-CG 3.93Å; L73-L98 HydrophobicContact CD1-CD2 4.41Å; L73-L98 HydrophobicContact CD2-CD2 3.72Å; I96-L98 HydrophobicContact CD1-CD2 4.04Å; I96-L98 HydrophobicContact CG1-CD2 4.17Å; L98-V103 HydrophobicContact CB-CG1 4.44Å; L98-V103 HydrophobicContact CB-CG2 4.34Å; L98-V103 HydrophobicContact CD1-CB 4.25Å; L98-V103 HydrophobicContact CD1-CG1 4.12Å; L98-V103 HydrophobicContact CD2-CG1 4.26Å; L98-V105 HydrophobicContact CD1-CG2 3.85Å; L98-V105 HydrophobicContact CD2-CG2 4.01Å; L98-F124 HydrophobicContact CD1-CB 3.85Å; L98-F124 HydrophobicContact CD1-CD2 3.42Å; L98-F124 VanDerWaalsContact CD1-CD2 3.42Å; L98-F124 HydrophobicContact CD1-CE2 4.06Å; L98-F124 HydrophobicContact CD1-CG 3.74Å; L98-V126 HydrophobicContact CB-CG2 3.79Å; L98-V126 HydrophobicContact CD1-CG2 4.31Å
99P89.5Confident90.4Very high77 Ų7754.2 Ų54.250%0.529%0.287SS..PPolyproline II helixtrans-64.5156173.928-33.8000110.7V103 V126P99-V103 HydrophobicContact CG-CG2 3.77Å; P99-V103 WeakPolarHBondContact O-CG2 3.44Å; P99-V126 VanDerWaalsContact O-CB 3.25Å; P99-V126 WeakPolarHBondContact O-CB 3.32Å; P99-V126 WeakPolarHBondContact O-CG1 3.43Å; P99-V126 WeakPolarHBondContact O-CG2 3.42Å
100A89.8Confident90.6Very high39 Ų3954 Ų5432%0.32229%0.285SS..SBendtrans-59.7151175.200000112T28 Q128T28-A100 HydrophobicContact CG2-CB 3.81Å; A100-Q128 HydrophobicContact CB-CG 3.6Å
101G88.8Confident90.5Very high38 Ų3849.4 Ų49.439%0.39227%0.271SS..EExtended strand (participates in β ladder)trans97.6-158.3-178.800000113.3V126G101-V126 PolarHBondContact N-O 2.76Å; G101-V126 PolarHBondContact O-N 3.29Å
102R90.9Very high90.1Very high196 Ų19652.6 Ų52.674%0.7428%0.28SS*.EExtended strand (participates in β ladder)trans-90.7111-176.4-176172.9172.7-108.30.8110.2V123 F124R102-V123 HydrophobicContact CG-CG1 3.86Å; R102-F124 CarbonylContact C-O 3.54Å; R102-F124 WeakPolarHBondContact CA-O 3.36Å
103V90.8Very high89.7Confident7 Ų755.3 Ų55.34%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-112.8133.6-175.3-175.40000110.5L73 L98 P99 V105 V123 F124 V126L73-V103 HydrophobicContact CB-CG1 4.15Å; L73-V103 HydrophobicContact CD2-CG1 4.23Å; L98-V103 HydrophobicContact CB-CG1 4.44Å; L98-V103 HydrophobicContact CB-CG2 4.34Å; L98-V103 HydrophobicContact CD1-CB 4.25Å; L98-V103 HydrophobicContact CD1-CG1 4.12Å; L98-V103 HydrophobicContact CD2-CG1 4.26Å; P99-V103 HydrophobicContact CG-CG2 3.77Å; P99-V103 WeakPolarHBondContact O-CG2 3.44Å; V103-V105 HydrophobicContact CG1-CG2 4.34Å; V103-V123 CarbonylContact O-C 3.56Å; V103-V123 WeakPolarHBondContact O-CA 3.37Å; V103-F124 PolarHBondContact N-O 3.07Å; V103-F124 PolarHBondContact O-N 2.76Å; V103-V126 HydrophobicContact CB-CG2 4.42Å; V103-V126 HydrophobicContact CG2-CG2 3.93Å
104S93Very high89.3Confident26 Ų2651.1 Ų51.118%0.18228%0.28CS..EExtended strand (participates in β ladder)trans-110.6100.8178.6176.50000110.2L73 G75 R106L73-S104 CarbonylContact C-O 3.55Å; L73-S104 WeakPolarHBondContact CA-O 3.44Å; L73-S104 PolarHBondContact O-N 2.84Å; L73-S104 VanDerWaalsContact O-O 3.1Å; G75-S104 PolarHBondContact N-O 2.91Å; S104-R106 PolarHBondContact O-N 2.81Å
105V94.8Very high89.2Confident0 Ų056.8 Ų56.80%030%0.295CS..EExtended strand (participates in β ladder)trans-84.6115.8177-171.10000109I11 I34 T72 L73 L98 V103 T121 K122 F124I11-V105 HydrophobicContact CD1-CB 4.01Å; I11-V105 HydrophobicContact CD1-CG1 3.75Å; I11-V105 WeakPolarHBondContact CD1-O 2.82Å; I11-V105 HydrophobicContact CG1-CG1 4.34Å; I11-V105 HydrophobicContact CG2-CB 4.28Å; I11-V105 HydrophobicContact CG2-CG1 4.1Å; I34-V105 HydrophobicContact CD1-CG1 4.09Å; T72-V105 WeakPolarHBondContact O-CA 3.45Å; L73-V105 HydrophobicContact CD2-CB 4.43Å; L73-V105 HydrophobicContact CD2-CG1 4.3Å; L73-V105 HydrophobicContact CD2-CG2 3.79Å; L98-V105 HydrophobicContact CD1-CG2 3.85Å; L98-V105 HydrophobicContact CD2-CG2 4.01Å; V103-V105 HydrophobicContact CG1-CG2 4.34Å; V105-T121 CarbonylContact O-C 3.55Å; V105-T121 WeakPolarHBondContact O-CA 3.4Å; V105-K122 PolarHBondContact N-O 2.99Å; V105-K122 PolarHBondContact O-N 3.28Å; V105-F124 HydrophobicContact CB-CE2 4.46Å; V105-F124 HydrophobicContact CG2-CD2 3.85Å; V105-F124 HydrophobicContact CG2-CE2 3.89Å
106R94.8Very high89.1Confident87 Ų8759.8 Ų59.833%0.32830%0.296SS..EExtended strand (participates in β ladder)trans-110.7139.5169.6-64.9-169.3164.5175-5110.4F71 T72 G75 S76 S104 V119 V120 T121F71-R106 CarbonylContact C-O 3.55Å; F71-R106 WeakPolarHBondContact CA-O 3.37Å; F71-R106 VanDerWaalsContact CB-O 3.22Å; F71-R106 WeakPolarHBondContact CB-O 3.23Å; T72-R106 PolarHBondContact N-O 2.81Å; T72-R106 PolarHBondContact O-N 2.86Å; G75-R106 VanDerWaalsContact O-CD 3.24Å; G75-R106 WeakPolarHBondContact O-CD 3.22Å; G75-R106 PolarHBondContact O-NE 3.29Å; G75-R106 PolarHBondContact O-NH1 2.79Å; S76-R106 WeakPolarHBondContact O-CD 3.36Å; S104-R106 PolarHBondContact O-N 2.81Å; R106-V119 HydrophobicContact CB-CG1 4.09Å; R106-V120 CarbonylContact C-O 3.54Å; R106-V120 WeakPolarHBondContact CA-O 3.49Å; R106-T121 HydrophobicContact CG-CG2 3.89Å; R106-T121 WeakPolarHBondContact CG-OG1 3.42Å; R106-T121 PolarHBondContact NE-OG1 2.85Å; R106-T121 VanDerWaalsContact NE-OG1 3.12Å
107A93.6Very high89.1Confident0 Ų059.5 Ų59.50%030%0.296CS..EExtended strand (participates in β ladder)trans-142.4150.4-178.600000113.3P9 I11 I34 I69 F70 F71 V119 V120P9-A107 HydrophobicContact CG-CB 3.8Å; I11-A107 HydrophobicContact CD1-CB 4.32Å; I34-A107 HydrophobicContact CD1-CB 4.3Å; I34-A107 HydrophobicContact CG2-CB 3.91Å; I69-A107 HydrophobicContact CG2-CB 4.27Å; F70-A107 CarbonylContact O-C 3.57Å; F70-A107 VanDerWaalsContact O-CA 3.23Å; F70-A107 WeakPolarHBondContact O-CA 3.02Å; F71-A107 HydrophobicContact CB-CB 4.04Å; A107-V119 WeakPolarHBondContact O-CA 3.38Å; A107-V120 HydrophobicContact CB-CG1 3.86Å; A107-V120 PolarHBondContact N-O 3.18Å; A107-V120 PolarHBondContact O-N 3.45Å
108V92.6Very high89Confident6 Ų658.3 Ų58.34%0.03630%0.296CS..EExtended strand (participates in β ladder)trans-138.4138.417566.10000109.9I69 F70 P78 V110 R116 S117 V119I69-V108 WeakPolarHBondContact CA-O 3.33Å; F70-V108 HydrophobicContact CB-CG1 4.09Å; F70-V108 PolarHBondContact N-O 2.88Å; F70-V108 PolarHBondContact O-N 2.96Å; P78-V108 HydrophobicContact CB-CG1 3.91Å; P78-V108 HydrophobicContact CG-CB 4.01Å; P78-V108 HydrophobicContact CG-CG1 3.67Å; V108-V110 HydrophobicContact CG1-CG2 4.28Å; V108-V110 HydrophobicContact CG2-CG2 4.38Å; V108-R116 HydrophobicContact CG2-CB 4.22Å; V108-S117 WeakPolarHBondContact CG2-O 3.47Å; V108-V119 HydrophobicContact CB-CG2 4.29Å; V108-V119 HydrophobicContact CG2-CG2 4.49Å
109A91.6Very high89Confident1 Ų160.6 Ų60.61%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-95.5135.1172.600000109.8I6 V67 L68 I69 R116 S117I6-A109 HydrophobicContact CG2-CB 3.99Å; V67-A109 HydrophobicContact CG1-CB 3.71Å; L68-A109 CarbonylContact O-C 3.58Å; I69-A109 HydrophobicContact CG1-CB 4.31Å; A109-R116 CarbonylContact O-C 3.58Å; A109-R116 WeakPolarHBondContact O-CA 3.43Å; A109-S117 PolarHBondContact N-OG 3.09Å; A109-S117 PolarHBondContact O-N 2.94Å
110V88.2Confident89.2Confident14 Ų1458.8 Ų58.89%0.08530%0.298CS..EExtended strand (participates in β ladder)trans-133.2123.8-176.9-176.60000109.7V67 L68 F70 A80 V108 R115 R116V67-V110 CarbonylContact C-O 3.49Å; V67-V110 WeakPolarHBondContact CA-O 3.21Å; L68-V110 PolarHBondContact N-O 2.89Å; L68-V110 PolarHBondContact O-N 2.97Å; F70-V110 HydrophobicContact CD2-CB 4.46Å; F70-V110 HydrophobicContact CD2-CG2 4.12Å; F70-V110 HydrophobicContact CE2-CB 4.32Å; F70-V110 HydrophobicContact CE2-CG2 4.4Å; A80-V110 HydrophobicContact CB-CB 4.29Å; A80-V110 HydrophobicContact CB-CG1 4.26Å; A80-V110 HydrophobicContact CB-CG2 3.59Å; V108-V110 HydrophobicContact CG1-CG2 4.28Å; V108-V110 HydrophobicContact CG2-CG2 4.38Å; V110-R115 WeakPolarHBondContact CA-O 3.38Å; V110-R116 HydrophobicContact CG1-CG 4.28Å; V110-R116 HydrophobicContact CG2-CB 4.39Å; V110-R116 HydrophobicContact CG2-CG 3.92Å
111T86.1Confident89.4Confident28 Ų2860.1 Ų60.117%0.17230%0.302CS..EExtended strand (participates in β ladder)trans-83.2166.9176.648.30000111.8I6 G66 V67 D113 G114 R115I6-T111 HydrophobicContact CD1-CG2 3.41Å; I6-T111 VanDerWaalsContact CD1-CG2 3.41Å; I6-T111 WeakPolarHBondContact CD1-OG1 3.26Å; I6-T111 HydrophobicContact CG1-CG2 3.89Å; G66-T111 CarbonylContact O-C 3.16Å; G66-T111 WeakPolarHBondContact O-CA 3.36Å; V67-T111 HydrophobicContact CG2-CG2 3.82Å; T111-D113 WeakPolarHBondContact CB-OD1 2.99Å; T111-D113 PolarHBondContact O-N 2.83Å; T111-D113 PolarHBondContact OG1-OD1 3.29Å; T111-G114 PolarHBondContact O-N 2.86Å; T111-R115 PolarHBondContact N-O 3.03Å; T111-R115 WeakPolarHBondContact OG1-CB 3.45Å; T111-R115 PolarHBondContact OG1-N 3.27Å; T111-R115 PolarHBondContact OG1-O 2.83Å
112R82.1Confident89.6Confident182 Ų18260.1 Ų60.169%0.68729%0.291SS*.THydrogen-bonded Turntrans-57.1-33.5175.5-68.2-174.3-178.3-175.22.8113.8G66 G114G66-R112 PolarHBondContact O-N 3.5Å; G66-R112 VanDerWaalsContact O-N 3.07Å; R112-G114 PolarHBondContact O-N 2.06Å
113D79.3Confident89.7Confident95 Ų9553.1 Ų53.151%0.50827%0.271SS..THydrogen-bonded Turntrans-78.98.3176.666.2-38.8000113.2T111 R115T111-D113 WeakPolarHBondContact CB-OD1 2.99Å; T111-D113 PolarHBondContact O-N 2.83Å; T111-D113 PolarHBondContact OG1-OD1 3.29Å; D113-R115 VanDerWaalsContact C-N 3.26Å; D113-R115 PolarHBondContact O-N 3.35Å; D113-R115 WeakPolarHBondContact OD2-CD 3.38Å; D113-R115 WeakPolarHBondContact OD2-CG 3.15Å; D113-R115 IonicContact OD2-CZ 3.36Å; D113-R115 IonicContact OD2-NE 2.85Å; D113-R115 PolarHBondContact OD2-NE 2.82Å; D113-R115 IonicContact OD2-NH2 3.76Å
114G78.9Confident89.7Confident45 Ų4552.8 Ų52.846%0.46427%0.268SS..  trans80.9-2.317200000114.9T111 R112 R116T111-G114 PolarHBondContact O-N 2.86Å; R112-G114 PolarHBondContact O-N 2.06Å; G114-R116 WeakPolarHBondContact O-CG 3.16Å
115R83.8Confident89.6Confident138 Ų13854.7 Ų54.752%0.52128%0.281SS..  trans-63.5147.8172-66.9178.7-164.4175.16109.8I6 V110 T111 D113I6-R115 HydrophobicContact CD1-CB 3.35Å; I6-R115 WeakPolarHBondContact CD1-O 3.49Å; I6-R115 HydrophobicContact CG1-CB 4.28Å; V110-R115 WeakPolarHBondContact CA-O 3.38Å; T111-R115 PolarHBondContact N-O 3.03Å; T111-R115 WeakPolarHBondContact OG1-CB 3.45Å; T111-R115 PolarHBondContact OG1-N 3.27Å; T111-R115 PolarHBondContact OG1-O 2.83Å; D113-R115 VanDerWaalsContact C-N 3.26Å; D113-R115 PolarHBondContact O-N 3.35Å; D113-R115 WeakPolarHBondContact OD2-CD 3.38Å; D113-R115 WeakPolarHBondContact OD2-CG 3.15Å; D113-R115 IonicContact OD2-CZ 3.36Å; D113-R115 IonicContact OD2-NE 2.85Å; D113-R115 PolarHBondContact OD2-NE 2.82Å; D113-R115 IonicContact OD2-NH2 3.76Å
116R87.4Confident89.5Confident145 Ų14555 Ų5555%0.54728%0.284SS..BIsolated β-bridgetrans-128.3142.9-175.1-52.2-174.6177.3179.6-6.5110.8A80 V108 A109 V110 G114A80-R116 PolarHBondContact O-NH2 2.78Å; V108-R116 HydrophobicContact CG2-CB 4.22Å; A109-R116 CarbonylContact O-C 3.58Å; A109-R116 WeakPolarHBondContact O-CA 3.43Å; V110-R116 HydrophobicContact CG1-CG 4.28Å; V110-R116 HydrophobicContact CG2-CB 4.39Å; V110-R116 HydrophobicContact CG2-CG 3.92Å; G114-R116 WeakPolarHBondContact O-CG 3.16Å
117S90.2Very high89.2Confident11 Ų1152.2 Ų52.28%0.07728%0.281CS..PPolyproline II helixtrans-71171.1166.174.60000110.9I6 P9 V108 A109I6-S117 WeakPolarHBondContact O-CB 3.22Å; P9-S117 WeakPolarHBondContact CD-OG 3.33Å; V108-S117 WeakPolarHBondContact CG2-O 3.47Å; A109-S117 PolarHBondContact N-OG 3.09Å; A109-S117 PolarHBondContact O-N 2.94Å
118S89.6Confident88.9Confident83 Ų8358.5 Ų58.558%0.5831%0.311SS*.PPolyproline II helixtrans-61.5156.3159.557.40000110.8
119V93Very high88.5Confident54 Ų5460.8 Ų60.833%0.32733%0.325SS..PPolyproline II helixtrans-81.8122.3174.9178.90000108.6K77 P78 R106 A107 V108K77-V119 HydrophobicContact CG-CG2 4.19Å; P78-V119 HydrophobicContact CG-CG1 4.2Å; P78-V119 HydrophobicContact CG-CG2 4.49Å; R106-V119 HydrophobicContact CB-CG1 4.09Å; A107-V119 WeakPolarHBondContact O-CA 3.38Å; V108-V119 HydrophobicContact CB-CG2 4.29Å; V108-V119 HydrophobicContact CG2-CG2 4.49Å
120V94.2Very high87.6Confident40 Ų4067.7 Ų67.724%0.24236%0.357CS..EExtended strand (participates in β ladder)trans-88.8145.5170.568.40000109.5P9 I11 R106 A107P9-V120 HydrophobicContact CG-CG1 3.81Å; P9-V120 WeakPolarHBondContact O-CG1 3.31Å; I11-V120 HydrophobicContact CD1-CG1 3.68Å; I11-V120 HydrophobicContact CG1-CG1 4.03Å; R106-V120 CarbonylContact C-O 3.54Å; R106-V120 WeakPolarHBondContact CA-O 3.49Å; A107-V120 HydrophobicContact CB-CG1 3.86Å; A107-V120 PolarHBondContact N-O 3.18Å; A107-V120 PolarHBondContact O-N 3.45Å
121T94.1Very high86.2Confident66 Ų6672.3 Ų72.341%0.40539%0.387SS..EExtended strand (participates in β ladder)trans-126.1130.9172.7-57.60000109.4V105 R106V105-T121 CarbonylContact O-C 3.55Å; V105-T121 WeakPolarHBondContact O-CA 3.4Å; R106-T121 HydrophobicContact CG-CG2 3.89Å; R106-T121 WeakPolarHBondContact CG-OG1 3.42Å; R106-T121 PolarHBondContact NE-OG1 2.85Å; R106-T121 VanDerWaalsContact NE-OG1 3.12Å
122K93.1Very high84.6Confident38 Ų3878.3 Ų78.317%0.16542%0.418CS..EExtended strand (participates in β ladder)trans-133.1128.8170.5-166.6168.3-176.8-172.40110.7I11 V105 F124I11-K122 HydrophobicContact CB-CB 4Å; I11-K122 HydrophobicContact CB-CD 3.92Å; I11-K122 HydrophobicContact CD1-CB 3.84Å; I11-K122 HydrophobicContact CG2-CB 4.15Å; I11-K122 HydrophobicContact CG2-CD 4.07Å; I11-K122 WeakPolarHBondContact O-CD 3.39Å; I11-K122 PolarHBondContact O-NZ 3.43Å; V105-K122 PolarHBondContact N-O 2.99Å; V105-K122 PolarHBondContact O-N 3.28Å; K122-F124 HydrophobicContact CB-CE2 4.15Å; K122-F124 HydrophobicContact CD-CE1 4.24Å; K122-F124 HydrophobicContact CD-CE2 3.94Å; K122-F124 HydrophobicContact CD-CZ 3.55Å; K122-F124 HydrophobicContact CG-CD2 4.46Å; K122-F124 HydrophobicContact CG-CE2 3.85Å; K122-F124 HydrophobicContact CG-CZ 3.93Å
123V93.1Very high82.8Confident50 Ų5077.3 Ų77.330%0.30342%0.421SS..EExtended strand (participates in β ladder)trans-101131.4179.6-176.90000109.2R102 V103R102-V123 HydrophobicContact CG-CG1 3.86Å; V103-V123 CarbonylContact O-C 3.56Å; V103-V123 WeakPolarHBondContact O-CA 3.37Å
124F91Very high81.3Confident0 Ų081.8 Ų81.80%044%0.439CS..EExtended strand (participates in β ladder)trans-115.6141175.1-65.3-85.7000111.1I11 P13 T24 I26 V32 L98 R102 V103 V105 K122 V126I11-F124 HydrophobicContact CG2-CE2 3.7Å; I11-F124 HydrophobicContact CG2-CZ 3.89Å; P13-F124 HydrophobicContact CB-CE1 4.42Å; P13-F124 HydrophobicContact CG-CE1 4.34Å; T24-F124 CarbonylContact O-C 3.46Å; T24-F124 WeakPolarHBondContact O-CA 3.38Å; I26-F124 HydrophobicContact CD1-CB 4.25Å; I26-F124 HydrophobicContact CD1-CD1 3.81Å; I26-F124 HydrophobicContact CD1-CE1 4.34Å; I26-F124 HydrophobicContact CD1-CG 4.09Å; I26-F124 HydrophobicContact CG1-CB 4.29Å; I26-F124 HydrophobicContact CG1-CD1 4.09Å; I26-F124 HydrophobicContact CG1-CG 4.48Å; I26-F124 HydrophobicContact CG2-CD1 4.01Å; I26-F124 HydrophobicContact CG2-CE1 4.29Å; V32-F124 HydrophobicContact CG1-CE2 4.14Å; V32-F124 HydrophobicContact CG1-CZ 4.05Å; V32-F124 HydrophobicContact CG2-CE1 4.45Å; V32-F124 HydrophobicContact CG2-CE2 4.38Å; V32-F124 HydrophobicContact CG2-CZ 4.14Å; L98-F124 HydrophobicContact CD1-CB 3.85Å; L98-F124 HydrophobicContact CD1-CD2 3.42Å; L98-F124 VanDerWaalsContact CD1-CD2 3.42Å; L98-F124 HydrophobicContact CD1-CE2 4.06Å; L98-F124 HydrophobicContact CD1-CG 3.74Å; R102-F124 CarbonylContact C-O 3.54Å; R102-F124 WeakPolarHBondContact CA-O 3.36Å; V103-F124 PolarHBondContact N-O 3.07Å; V103-F124 PolarHBondContact O-N 2.76Å; V105-F124 HydrophobicContact CB-CE2 4.46Å; V105-F124 HydrophobicContact CG2-CD2 3.85Å; V105-F124 HydrophobicContact CG2-CE2 3.89Å; K122-F124 HydrophobicContact CB-CE2 4.15Å; K122-F124 HydrophobicContact CD-CE1 4.24Å; K122-F124 HydrophobicContact CD-CE2 3.94Å; K122-F124 HydrophobicContact CD-CZ 3.55Å; K122-F124 HydrophobicContact CG-CD2 4.46Å; K122-F124 HydrophobicContact CG-CE2 3.85Å; K122-F124 HydrophobicContact CG-CZ 3.93Å; F124-V126 HydrophobicContact CB-CG2 4.05Å
125S90.8Very high79.5Confident65 Ų6585.4 Ų85.446%0.45545%0.452SS..EExtended strand (participates in β ladder)trans-100108.9163.4-65.20000107.5T24 R25 I26T24-S125 PolarHBondContact O-N 3.45Å; R25-S125 WeakPolarHBondContact CA-O 3.33Å; I26-S125 PolarHBondContact N-O 2.47Å; I26-S125 VanDerWaalsContact O-O 3.12Å
126V92.6Very high77.8Confident8 Ų886.9 Ų86.95%0.04847%0.465CS..EExtended strand (participates in β ladder)trans-102112.6-172.4-170.30000109.6I26 T28 L98 P99 G101 V103 F124I26-V126 HydrophobicContact CD1-CG2 4.23Å; I26-V126 HydrophobicContact CG1-CB 4.48Å; I26-V126 HydrophobicContact CG1-CG1 4.4Å; I26-V126 HydrophobicContact CG1-CG2 3.94Å; I26-V126 CarbonylContact O-C 3.57Å; I26-V126 VanDerWaalsContact O-CA 3.23Å; I26-V126 WeakPolarHBondContact O-CA 3.41Å; T28-V126 HydrophobicContact CG2-CG1 3.71Å; L98-V126 HydrophobicContact CB-CG2 3.79Å; L98-V126 HydrophobicContact CD1-CG2 4.31Å; P99-V126 VanDerWaalsContact O-CB 3.25Å; P99-V126 WeakPolarHBondContact O-CB 3.32Å; P99-V126 WeakPolarHBondContact O-CG1 3.43Å; P99-V126 WeakPolarHBondContact O-CG2 3.42Å; G101-V126 PolarHBondContact N-O 2.76Å; G101-V126 PolarHBondContact O-N 3.29Å; V103-V126 HydrophobicContact CB-CG2 4.42Å; V103-V126 HydrophobicContact CG2-CG2 3.93Å; F124-V126 HydrophobicContact CB-CG2 4.05Å
127G89Confident75.5Confident27 Ų2786 Ų8628%0.27848%0.48SS..EExtended strand (participates in β ladder)trans-75.4140.717400000111.6I26 D27 T28I26-G127 PolarHBondContact O-N 3.32Å; D27-G127 CarbonylContact C-O 3.42Å; D27-G127 WeakPolarHBondContact CA-O 3.02Å; T28-G127 WeakPolarHBondContact CG2-O 3.24Å; T28-G127 PolarHBondContact N-O 3.28Å
128Q86.8Confident73.5Confident133 Ų13394.5 Ų94.562%0.62152%0.519SS*.  trans-67.8129.1164.4-79.7-71.413.500108.7A100A100-Q128 HydrophobicContact CB-CG 3.6Å
129V83.9Confident70.9Confident53 Ų5393.3 Ų93.332%0.32152%0.52SS..  trans-93.4109.5161.2-173.90000105.6D27 T28 R29D27-V129 HydrophobicContact CB-CG2 3.57Å; T28-V129 PolarHBondContact OG1-N 2.99Å; R29-V129 HydrophobicContact CG-CB 4.35Å; R29-V129 HydrophobicContact CG-CG2 4.19Å
130E73.6Confident68.5Low147 Ų14795 Ų9569%0.68755%0.548SS*.  trans-58.7129.2168.7-73.3-75.2109.300107.7D132E130-D132 PolarHBondContact O-N 2.98Å; E130-D132 VanDerWaalsContact O-N 3.13Å
131P57.2Low65.7Low111 Ų111103.3 Ų103.372%0.72158%0.576SS**  trans-60.3120.4170.124.6-29.1000107Q133P131-Q133 PolarHBondContact O-N 3.25Å
132D52.9Low62.9Low153 Ų153106.9 Ų106.982%0.81859%0.593SS**  trans-44103-172.1-151.119.4000110.7E130 Q134E130-D132 PolarHBondContact O-N 2.98Å; E130-D132 VanDerWaalsContact O-N 3.13Å; D132-Q134 PolarHBondContact O-N 3.43Å; D132-Q134 VanDerWaalsContact O-N 3.13Å
133Q44.7Very low60.1Low162 Ų162109.4 Ų109.476%0.75762%0.616SS**  trans-73.1106.7168.8-165.5155.117.100104.1P131 V135P131-Q133 PolarHBondContact O-N 3.25Å; Q133-V135 PolarHBondContact O-N 3.32Å
134Q47.5Very low57.3Low188 Ų188114.2 Ų114.288%0.87964%0.639SS**  trans-53.293.3170.4-76.7-179.9-57.400108.2D132 Q136D132-Q134 PolarHBondContact O-N 3.43Å; D132-Q134 VanDerWaalsContact O-N 3.13Å; Q134-Q136 PolarHBondContact O-N 3.4Å
135V40.5Very low54.6Low122 Ų122122.4 Ų122.474%0.73968%0.678SS**  trans-79.6110.9171.5174.10000106.5Q133 S137Q133-V135 PolarHBondContact O-N 3.32Å; V135-S137 PolarHBondContact O-N 3.23Å
136Q47.9Very low52Low169 Ų169129.6 Ų129.679%0.7970%0.695SS**  trans-21.4116.2155.7-71.4158.9-2400112.4Q134 E138Q134-Q136 PolarHBondContact O-N 3.4Å; Q136-E138 PolarHBondContact O-N 2.68Å
137S40.2Very low49.1Very low125 Ų125134.2 Ų134.287%0.87473%0.728SS**  trans-85.595.8153-71.10000107.4V135 G139V135-S137 PolarHBondContact O-N 3.23Å; S137-G139 PolarHBondContact O-N 2.65Å
138E47.5Very low46.2Very low191 Ų191136.4 Ų136.489%0.89375%0.75SS**  trans-67.2107.2154.7-68-165.8124.600107.4Q136Q136-E138 PolarHBondContact O-N 2.68Å
139G35.2Very low43.6Very low58 Ų58136.4 Ų136.460%0.59877%0.765SS**  trans-144.284.317200000107.6S137 Y141S137-G139 PolarHBondContact O-N 2.65Å; G139-Y141 PolarHBondContact O-N 3.16Å
140G42.5Very low41Very low88 Ų88141.4 Ų141.491%0.90779%0.79SS**  trans-64.7127175.300000111.2
141Y35.8Very low39.6Very low215 Ų215139.7 Ų139.784%0.84379%0.791SS**  trans-142.713014758.1-87.4000107.5G139G139-Y141 PolarHBondContact O-N 3.16Å
142D34.4Very low38.3Very low142 Ų142140.6 Ų140.676%0.75980%0.795SS**  trans-68139.3177.5-176.8-89.1000110.4
143S34.8Very low38.1Very low91 Ų91138.9 Ų138.964%0.63679%0.792SS**  163.2123.5127.6-74.30000112.6
144D34.3Very low37.3Very low150 Ų150136 Ų13680%0.80280%0.796SS**  trans79.9122142.5-64.4-46000125
145E35.5Very low36.3Very low172 Ų172130.3 Ų130.380%0.80479%0.788SS**  trans-23.5137.8165.1-69.5-170.169.800119.7
146R35.3Very low35.9Very low217 Ų217131.2 Ų131.282%0.81979%0.794SS**  162.5137.288-171.8145.1-175.7-154.42.1114.1
147S32.5Very low35.5Very low105 Ų105128.8 Ų128.873%0.73479%0.793SS**  trans78.2106.5151.7-780000121.9
148G28Very low34.8Very low73 Ų73126.5 Ų126.575%0.75379%0.789SS**  107.9108.9101.600000120.5
149S31.6Very low33.9Very low133 Ų133129 Ų12993%0.9379%0.79SS**  trans91.1117.7147.5580000123.1
150D29.8Very low33.7Very low157 Ų157131.5 Ų131.584%0.8480%0.799SS**  trans-48.1-177.2164.7-87.3-43.1000118.1
151P42.8Very low32.9Very low111 Ų111135.6 Ų135.672%0.72179%0.794SS**  cis-133.4176.2-41.536.7-18.5000113.5
152T31.1Very low32.7Very low131 Ų131136.7 Ų136.780%0.80480%0.797SS**  trans-56.6175.3171.3-12.40000113.7
153P47.4Very low32.4Very low116 Ų116136.9 Ų136.975%0.75380%0.797SS**  cis-152.8178.726.540.2-15.1000121.5
154A27.8Very low32Very low102 Ų102141.3 Ų141.384%0.84381%0.807SS**  trans91.7132143.100000121.8
155G26.6Very low31.7Very low69 Ų69140.3 Ų140.371%0.71181%0.806SS**  trans136.750.3136.600000123.1
156T33.4Very low31.3Very low140 Ų140137.8 Ų137.886%0.85980%0.803SS**  trans58.9176.2139.7-7.70000120.2
157P38.5Very low30.9Very low119 Ų119133.5 Ų133.577%0.77381%0.805SS**  -125.6171.2-11541.9-22.9000115.8
158G25.5Very low30.7Very low77 Ų77133.8 Ų133.879%0.79481%0.807SS**  trans103107.2137.900000117.2
159R28.7Very low30.7Very low243 Ų243136.7 Ų136.792%0.91781%0.812SS**  trans-164.2106.7136.4-153.6162.4153-146.5-8.6109.2E161R159-E161 VanDerWaalsContact C-N 3.35Å; R159-E161 PolarHBondContact O-N 2.94Å
160S31.6Very low30.4Very low111 Ų111134.7 Ų134.778%0.77680%0.804SS**  trans-70.295.6169.529.70000108.8
161E26.2Very low30.3Very low173 Ų173132.8 Ų132.881%0.80880%0.803SS**  trans-70.5119.6169.2-165164.1179.100108.4R159 I163R159-E161 VanDerWaalsContact C-N 3.35Å; R159-E161 PolarHBondContact O-N 2.94Å; E161-I163 PolarHBondContact O-N 3.12Å
162W30Very low29.9Very low239 Ų239136.5 Ų136.591%0.90581%0.81SS**  trans-73.9114.9175.7-7182000108.2E164W162-E164 PolarHBondContact O-N 2.74Å
163I28.6Very low30Very low146 Ų146136.2 Ų136.275%0.74981%0.811SS**  trans-78.8109.8175.1-60.6171.7000107.8E161 V165E161-I163 PolarHBondContact O-N 3.12Å; I163-V165 HydrophobicContact CG2-CG2 3.73Å; I163-V165 PolarHBondContact O-N 3.23Å
164E27Very low28.9Very low184 Ų184134.3 Ų134.386%0.8681%0.812SS**  trans-71.5105.4164.5-83.5-175.1139.400109W162W162-E164 PolarHBondContact O-N 2.74Å
165V28.5Very low29.2Very low128 Ų128141.3 Ų141.378%0.77682%0.817SS**  trans-95101.6169.6-174.60000108.3I163I163-V165 HydrophobicContact CG2-CG2 3.73Å; I163-V165 PolarHBondContact O-N 3.23Å
166T27.1Very low29.4Very low120 Ų120144.7 Ų144.774%0.73682%0.823SS**  trans-94131.9164.1-45.80000107.6
167C25.7Very low29.5Very low127 Ų127146.6 Ų146.686%0.85883%0.825SS**  trans-161.3145.9155.2-100.40000114.8
168S27.7Very low29Very low111 Ų111146.8 Ų146.878%0.77683%0.829SS**  trans-71.2172.2-171.9-54.90000115.3
169P29.8Very low29.4Very low133 Ų133148.6 Ų148.686%0.86483%0.83SS**  trans-86.2137.7-168.733.9-28.7000112
170A24.6Very low29.8Very low91 Ų91142.8 Ų142.875%0.75282%0.823SS**  trans-132.2108.5168.100000110.6
171S28Very low30.1Very low117 Ų117143.1 Ų143.182%0.81882%0.823SS**  trans43.3123.8132.3-43.80000121
172E33.8Very low30.6Very low190 Ų190141 Ų14189%0.88882%0.824SS**  trans-54.2157.2164.9-62.5-168107.800113.2
173P33.1Very low30.8Very low125 Ų125136 Ų13681%0.81282%0.819SS**  -146.9155.6108.535.5-19.5000115.9
174G25.6Very low31.1Very low75 Ų75134.6 Ų134.677%0.77382%0.82SS**  98.1101.8126.100000117.6
175R34.1Very low31.6Very low250 Ų250133.6 Ų133.694%0.94382%0.819SS**  trans-79136.3172-56.1178.2175.3-149.8-2.4111
176T30Very low31.9Very low139 Ų139133.6 Ų133.685%0.85382%0.822SS**  trans-145.1123.3154.2-35.50000110.9
177M34.4Very low32.1Very low181 Ų181133.6 Ų133.689%0.89283%0.827SS**  trans-69.5137.8172.8-75.5-103.5-127.100111
178S29.2Very low32.4Very low123 Ų123138.3 Ų138.386%0.8683%0.827SS**  trans-160.4129.9154.9-76.80000111.1
179S33.7Very low32.5Very low115 Ų115139 Ų13980%0.80483%0.83SS**PPolyproline II helixtrans-68.1161.6-176.1-55.40000114.5
180P38.1Very low32.5Very low121 Ų121136.3 Ų136.379%0.78682%0.815SS**PPolyproline II helixtrans-88.2152.9-179.534.3-33.2000113.9
181P36.1Very low32.8Very low118 Ų118144 Ų14477%0.76682%0.824SS**PPolyproline II helixtrans-88.6164.5172.135-32.3000113.3
182P37.3Very low32.8Very low127 Ų127141.9 Ų141.983%0.82582%0.821SS**PPolyproline II helixtrans-88.2157.4-163.235-34.2000114.6
183V35.5Very low32.5Very low135 Ų135138.1 Ų138.182%0.81882%0.823SS**PPolyproline II helixtrans-94.4138.2-179.9-145.30000110.4
184P34.7Very low32.3Very low117 Ų117135.6 Ų135.676%0.7682%0.819SS**PPolyproline II helixtrans-90.4137.2170.55.413.2000112.4
185L36Very low32.8Very low162 Ų162140 Ų14085%0.84882%0.823SS**PPolyproline II helixtrans-80.2148.8164.1-76.593.8000110.7
186P35.8Very low33Very low128 Ų128133.9 Ų133.983%0.83182%0.816SS**PPolyproline II helixtrans-93137.2164.832.8-27.3000112.8
187S31.4Very low33Very low121 Ų121134.1 Ų134.185%0.84681%0.812SS**PPolyproline II helixtrans-72.6154.9-176.9-53.20000114.8
188R32.1Very low33Very low226 Ų226130.8 Ų130.885%0.85380%0.803SS**PPolyproline II helixtrans-73.1143.7170.4168-170.2-91.1-120.30.7112.1
189C29.2Very low33.2Very low125 Ų125132.8 Ų132.885%0.84580%0.804SS**  trans-166156.3147.4-94.90000108.1
190S30.8Very low33.1Very low77 Ų77132 Ų13254%0.53881%0.805SS.*  -173.9128.4-54.2-89.90000105.7
191R30.7Very low32.8Very low252 Ų252130.7 Ų130.795%0.95180%0.804SS**  trans64.7141.5161.5-60.1-175.6-89.1-141.3-0.6116.6
192G27.1Very low32.5Very low73 Ų73137.1 Ų137.175%0.75381%0.813SS**  cis168.1174.55.500000108.5
193A28.3Very low32.1Very low111 Ų111137.7 Ų137.792%0.91782%0.815SS**  trans95.8120.1167.300000119.3
194G27.3Very low31.7Very low71 Ų71136.5 Ų136.573%0.73281%0.813SS**  trans103.991.513200000117.8
195I37.8Very low31.5Very low167 Ų167137.1 Ų137.186%0.85682%0.82SS**  trans-69.8142.1150.7-61.5-75000107.9
196P36.7Very low31.2Very low122 Ų122134.2 Ų134.279%0.79281%0.813SS**  trans-130.6148.2135.127.1-10.6000114
197D30.8Very low31Very low145 Ų145139.3 Ų139.378%0.77582%0.816SS**  trans-59150.2176.6-130-29.3000113.3
198P33.8Very low31Very low110 Ų110144 Ų14471%0.71482%0.815SS**  trans-100.290.4176.434.8-21000111
199D33.7Very low31Very low165 Ų165137.4 Ų137.488%0.88280%0.803SS**  trans-157.486.8161.8-96.7-32.3000110.5
200A31.5Very low31.1Very low98 Ų98140.2 Ų140.281%0.8180%0.803SS**  trans-154.284.2158.900000108.1
201A31.3Very low31Very low94 Ų94142.2 Ų142.278%0.77782%0.818SS**  trans-51.9150.1165.300000111T203A201-T203 PolarHBondContact O-N 3.22Å
202W30.2Very low31.2Very low253 Ų253134.7 Ų134.796%0.95881%0.809SS**  trans-48.2129.2-176.3-61-4.9000113.3
203T28.5Very low31.2Very low140 Ų140138.1 Ų138.186%0.85981%0.81SS**  trans-121.2118.6151.248.80000108.3A201A201-T203 PolarHBondContact O-N 3.22Å
204S27.3Very low31.7Very low110 Ų110137 Ų13777%0.76980%0.796SS**  trans-52145.5-179.2-55.50000113.1
205S31.2Very low31.9Very low130 Ų130141.9 Ų141.991%0.90980%0.799SS**  trans-122.2109.9150.4-84.40000110
206S30.5Very low31.9Very low101 Ų101142.7 Ų142.771%0.70680%0.799SS**  trans-62.6145.7175.6-640000114.1
207R31.4Very low31.8Very low235 Ų235142.8 Ų142.889%0.88780%0.8SS**  trans-152.4100.9132-114.1172.6-87.7-1060.5106.5
208R31.4Very low31.7Very low220 Ų220144.2 Ų144.283%0.8380%0.804SS**  47.4119.2102.1-107.8-171.7-86.9-105.3-0.8111
209S31.7Very low31.9Very low87 Ų87144.6 Ų144.661%0.60881%0.807SS**  cis-176.814844.2-860000112
210H31.3Very low31.8Very low183 Ų183143.4 Ų143.485%0.84780%0.799SS**  trans42116.7144.6-54.3-70.6000121.6
211S28.7Very low32.1Very low120 Ų120142.4 Ų142.484%0.83979%0.787SS**  172.9139.499.6-1670000110.2
212A34.6Very low32.8Very low93 Ų93142.4 Ų142.477%0.76978%0.781SS**  trans-67.5135.3166.800000109.6
213D26.4Very low33.3Very low145 Ų145138.2 Ų138.278%0.77577%0.769SS**  -170.2157.6119.7-149.5-3.4000111
214S39.1Very low33.8Very low89 Ų89137.1 Ų137.162%0.62276%0.758SS**  trans-77.6111.4-162.8-46.60000112.3
215H31.1Very low34.2Very low173 Ų173138.6 Ų138.680%0.80175%0.752SS**  trans-144.7117.4156.8-75.3-70.9000111.1P217H215-P217 WeakPolarHBondContact O-CD 3.31Å
216H39.6Very low34.6Very low183 Ų183135.5 Ų135.585%0.84773%0.728SS**  trans-48.4126.2169.8-49.2-84.2000111.6
217P33.2Very low34.9Very low125 Ų125135.9 Ų135.981%0.81272%0.719SS**  trans-85.2116.9161.4-6.124.5000108.7H215H215-P217 WeakPolarHBondContact O-CD 3.31Å
218M29.9Very low34.7Very low174 Ų174134.7 Ų134.786%0.85771%0.714SS**  trans-44.9142.3163.7-75.5-84.4173.600111L220M218-L220 PolarHBondContact O-N 2.86Å; M218-L220 VanDerWaalsContact O-N 3.14Å
219P37.9Very low34.9Very low119 Ų119130.7 Ų130.777%0.77371%0.709SS**PPolyproline II helixtrans-67.5117.9178.127.6-30.7000108.9S221P219-S221 PolarHBondContact O-N 2.87Å
220L30.1Very low35.2Very low139 Ų139134 Ų13473%0.72871%0.708SS**PPolyproline II helixtrans-53.5125.5163.8-149.482.5000107.2M218 S222M218-L220 PolarHBondContact O-N 2.86Å; M218-L220 VanDerWaalsContact O-N 3.14Å; L220-S222 PolarHBondContact O-N 3.22Å
221S39.8Very low35.7Very low78 Ų78130.1 Ų130.155%0.54569%0.693SS.*PPolyproline II helixtrans-47.6125.3-173.1-173.70000111.4P219 K223 L224P219-S221 PolarHBondContact O-N 2.87Å; S221-K223 PolarHBondContact O-N 2.82Å; S221-L224 PolarHBondContact O-N 3.43Å; S221-L224 VanDerWaalsContact O-N 3.09Å
222S44.9Very low36.4Very low93 Ų93129.9 Ų129.965%0.6569%0.687SS**Hα-helixtrans-51-12.4-177.456.60000115.3L220 T226L220-S222 PolarHBondContact O-N 3.22Å; S222-T226 WeakPolarHBondContact O-CB 3.29Å; S222-T226 WeakPolarHBondContact O-CG2 3.41Å; S222-T226 PolarHBondContact O-OG1 3.32Å
223K40.6Very low37.2Very low165 Ų165130.6 Ų130.672%0.71768%0.681SS**Hα-helixtrans-75.4-30.4176.6-80.9-179.7174.8175.80115S221 T226S221-K223 PolarHBondContact O-N 2.82Å; K223-T226 WeakPolarHBondContact CA-OG1 2.98Å; K223-T226 PolarHBondContact O-OG1 3.08Å
224L39Very low38.5Very low118 Ų118126.5 Ų126.562%0.61866%0.662SS**Hα-helixtrans-88.7-29.5-176.8-103.8129.6000113S221 Q227 W228S221-L224 PolarHBondContact O-N 3.43Å; S221-L224 VanDerWaalsContact O-N 3.09Å; L224-Q227 PolarHBondContact O-N 3.16Å; L224-W228 PolarHBondContact O-N 2.88Å
225Q35Very low39.3Very low140 Ų140123 Ų12365%0.65464%0.637SS**Hα-helixtrans-78.6-28.8176.3-159.31604.500112.5Q227 L229Q225-Q227 VanDerWaalsContact C-N 3.27Å; Q225-Q227 PolarHBondContact O-N 3.25Å; Q225-L229 PolarHBondContact O-N 3.4Å
226T40.4Very low40.9Very low65 Ų65120.6 Ų120.640%0.39962%0.621SS.*Hα-helixtrans-70.9-20.6168.744.60000113S222 K223 R230S222-T226 WeakPolarHBondContact O-CB 3.29Å; S222-T226 WeakPolarHBondContact O-CG2 3.41Å; S222-T226 PolarHBondContact O-OG1 3.32Å; K223-T226 WeakPolarHBondContact CA-OG1 2.98Å; K223-T226 PolarHBondContact O-OG1 3.08Å; T226-R230 WeakPolarHBondContact O-CD 3.4Å; T226-R230 WeakPolarHBondContact O-CG 3.19Å; T226-R230 PolarHBondContact O-NE 3.17Å
227Q36.8Very low41.9Very low110 Ų110111.9 Ų111.951%0.51458%0.581SS.*Hα-helixtrans-79.2-41.8177.7-165.668.135.400112L224 Q225L224-Q227 PolarHBondContact O-N 3.16Å; Q225-Q227 VanDerWaalsContact C-N 3.27Å; Q225-Q227 PolarHBondContact O-N 3.25Å
228W28.2Very low43.1Very low210 Ų210110 Ų11080%0.79557%0.568SS**Hα-helixtrans-76.5-29.4179.4-88.280.3000114L224L224-W228 PolarHBondContact O-N 2.88Å
229L34.4Very low44.3Very low136 Ų136110.9 Ų110.971%0.71256%0.562SS**G310 helixtrans-83.4-11.7178-148.672.6000113.5Q225 D231Q225-L229 PolarHBondContact O-N 3.4Å; L229-D231 VanDerWaalsContact C-N 3.3Å
230R38.5Very low45.3Very low157 Ų157107.3 Ų107.359%0.59254%0.54SS*.G310 helixtrans-73.5-19.6172.2-84.5171.5-171.2164.12.4113.2T226T226-R230 WeakPolarHBondContact O-CD 3.4Å; T226-R230 WeakPolarHBondContact O-CG 3.19Å; T226-R230 PolarHBondContact O-NE 3.17Å
231D40.8Very low46.6Very low101 Ų101106.8 Ų106.854%0.5454%0.537SS..G310 helixtrans-87.9-7-172.8-100.4-15.5000115L229L229-D231 VanDerWaalsContact C-N 3.3Å
232V43.8Very low47.2Very low115 Ų115105.4 Ų105.470%0.69753%0.526SS*.SBendtrans-102.8-11.4-171.5-173.10000113.8
233T51.3Low47.5Very low107 Ų107105.7 Ų105.766%0.65653%0.526SS*.SBendtrans-112.9-4.5-169.957.40000115.8
234T53.4Low48Very low59 Ų5998.2 Ų98.236%0.36250%0.495SS..SBendtrans-106.1108.7174.5-48.20000108.7W236 P243T234-W236 PolarHBondContact O-N 3.06Å; T234-W236 VanDerWaalsContact O-N 3.15Å; T234-W236 PolarHBondContact O-NE1 3.49Å; T234-P243 HydrophobicContact CG2-CB 3.84Å
235P57.2Low48.8Very low17 Ų1797 Ų9711%0.1149%0.489CS..PPolyproline II helixtrans-64.6122.4176.717.9-20000109.1S244 P246 I258 V261P235-S244 WeakPolarHBondContact O-CA 3.31Å; P235-S244 VanDerWaalsContact O-CB 3.25Å; P235-S244 WeakPolarHBondContact O-CB 3.17Å; P235-S244 PolarHBondContact O-N 2.98Å; P235-P246 HydrophobicContact CG-CB 4.35Å; P235-P246 HydrophobicContact CG-CG 4.43Å; P235-I258 HydrophobicContact CB-CG2 4.18Å; P235-V261 HydrophobicContact CB-CG2 3.9Å; P235-V261 HydrophobicContact CG-CG2 3.99Å
236W63.2Low49.7Very low121 Ų12193.5 Ų93.546%0.45848%0.478SS..BIsolated β-bridgetrans-93.1146.6174.5-66.41.3000109.7T234 P238 C242T234-W236 PolarHBondContact O-N 3.06Å; T234-W236 VanDerWaalsContact O-N 3.15Å; T234-W236 PolarHBondContact O-NE1 3.49Å; W236-P238 WeakPolarHBondContact O-CD 3.5Å; W236-C242 WeakPolarHBondContact CA-O 3.45Å
237C60.8Low50.4Low0 Ų098.6 Ų98.60%050%0.495CS..PPolyproline II helixtrans-66.4124.4172.7177.40000109.3R239 C240 L241 C242 C251C237-R239 PolarHBondContact O-N 2.8Å; C237-R239 VanDerWaalsContact O-N 3.08Å; C237-C240 HydrophobicContact CB-CB 4.13Å; C237-C240 PolarHBondContact O-N 2.94Å; C237-L241 VanDerWaalsContact O-CA 3.31Å; C237-L241 WeakPolarHBondContact O-CA 3.45Å; C237-L241 PolarHBondContact O-N 3.15Å; C237-C242 PolarHBondContact N-O 3.46Å; C237-C251 HydrophobicContact CB-CB 4.11Å; C237-C251 VanDerWaalsContact SG-CB 3.56Å; C237-C251 VanDerWaalsContact SG-SG 3.61Å
238P59.4Low51.3Low85 Ų8594.4 Ų94.455%0.55248%0.479SS*.THydrogen-bonded Turntrans-67.7-13.9-176.126.1-34.6000113.9W236W236-P238 WeakPolarHBondContact O-CD 3.5Å
239R55.8Low53Low194 Ų19489.6 Ų89.673%0.73246%0.461SS*.THydrogen-bonded Turntrans-99.6-28.8177.3-69-166.1-179.6158.8-4.5114.1C237 A256C237-R239 PolarHBondContact O-N 2.8Å; C237-R239 VanDerWaalsContact O-N 3.08Å; R239-A256 HydrophobicContact CB-CB 4.39Å; R239-A256 HydrophobicContact CG-CB 4.12Å
240C57.8Low54.4Low44 Ų4489.6 Ų89.630%0.29746%0.455SS..THydrogen-bonded Turntrans-122.5-7.6-163.9-58.60000111.5C237 C242 C254C237-C240 HydrophobicContact CB-CB 4.13Å; C237-C240 PolarHBondContact O-N 2.94Å; C240-C242 PolarHBondContact O-N 3.09Å; C240-C242 PolarHBondContact O-SG 3.48Å; C240-C254 HydrophobicContact CB-CB 4.5Å; C240-C254 WeakPolarHBondContact CB-SG 3.25Å; C240-C254 WeakPolarHBondContact SG-CB 3.21Å; C240-C254 CovalentContact SG-SG 2.06Å; C240-C254 PolarHBondContact SG-SG 3.48Å
241L58.4Low55.6Low127 Ų12782.3 Ų82.367%0.66543%0.429SS*.  trans49.617.7-179.2-59.3174.6000114.3C237C237-L241 VanDerWaalsContact O-CA 3.31Å; C237-L241 WeakPolarHBondContact O-CA 3.45Å; C237-L241 PolarHBondContact O-N 3.15Å
242C52.3Low56.5Low49 Ų4983.2 Ų83.233%0.33144%0.44SS..  trans-80.3139.7177.4-65.10000109.4W236 C237 C240 S244W236-C242 WeakPolarHBondContact CA-O 3.45Å; C237-C242 PolarHBondContact N-O 3.46Å; C240-C242 PolarHBondContact O-N 3.09Å; C240-C242 PolarHBondContact O-SG 3.48Å; C242-S244 PolarHBondContact O-N 3.15Å; C242-S244 PolarHBondContact O-OG 3.35Å
243P51.1Low57Low99 Ų9984.7 Ų84.764%0.64344%0.439SS*.BIsolated β-bridgetrans-59.3126.2171.723.6-30.9000108.8T234T234-P243 HydrophobicContact CG2-CB 3.84Å
244S51.1Low57.3Low9 Ų982.1 Ų82.16%0.06343%0.425CS..  trans-116.3150.5-178.8-53.30000109.8P235 C242P235-S244 WeakPolarHBondContact O-CA 3.31Å; P235-S244 VanDerWaalsContact O-CB 3.25Å; P235-S244 WeakPolarHBondContact O-CB 3.17Å; P235-S244 PolarHBondContact O-N 2.98Å; C242-S244 PolarHBondContact O-N 3.15Å; C242-S244 PolarHBondContact O-OG 3.35Å
245D55.5Low57.4Low91 Ų9181.7 Ų81.749%0.48743%0.432SS..  trans-57.7129.9174167.220.3000110F247 A248D245-F247 PolarHBondContact O-N 2.94Å; D245-F247 WeakPolarHBondContact OD1-CD2 3.09Å; D245-F247 PolarHBondContact OD1-N 3.01Å; D245-A248 HydrophobicContact CB-CB 3.99Å; D245-A248 WeakPolarHBondContact O-CB 3.36Å; D245-A248 PolarHBondContact O-N 3.29Å
246P52.8Low57.4Low67 Ų6781.2 Ų81.244%0.43543%0.429SS..THydrogen-bonded Turntrans-47.8-26.9172.7-29.135.2000115.7P235P235-P246 HydrophobicContact CG-CB 4.35Å; P235-P246 HydrophobicContact CG-CG 4.43Å
247F54.9Low57.2Low173 Ų17380.2 Ų80.276%0.75944%0.437SS*.THydrogen-bonded Turntrans-98-7-179.4-55.1-74.3000113.8D245D245-F247 PolarHBondContact O-N 2.94Å; D245-F247 WeakPolarHBondContact OD1-CD2 3.09Å; D245-F247 PolarHBondContact OD1-N 3.01Å
248A56.9Low57.2Low21 Ų2180.3 Ų80.317%0.17444%0.437CS..  trans-69.4136.6178.800000111.5D245 I258D245-A248 HydrophobicContact CB-CB 3.99Å; D245-A248 WeakPolarHBondContact O-CB 3.36Å; D245-A248 PolarHBondContact O-N 3.29Å; A248-I258 HydrophobicContact CB-CD1 3.8Å
249R62.7Low56.9Low110 Ų11080 Ų8042%0.41544%0.435SS..SBendtrans-94.1-22.8173.8-61.5-66.877.2-155.3-8.9112.6V257 I258R249-V257 WeakPolarHBondContact O-CA 3.03Å; R249-I258 PolarHBondContact O-N 2.86Å
250F65.7Low56.6Low136 Ų13675.1 Ų75.160%0.59643%0.429SS*.BIsolated β-bridgetrans-134.8145.7-179.4-54.1-84.1000110.2A256 V257F250-A256 CarbonylContact C-O 3.46Å; F250-A256 WeakPolarHBondContact CA-O 3.3Å; F250-V257 HydrophobicContact CD1-CG2 4.01Å; F250-V257 HydrophobicContact CE1-CG2 3.85Å
251C63.5Low56.2Low4 Ų477 Ų773%0.02744%0.439CS..  trans-71.9126.6174.9-179.10000110.6C237 Q253 G255 A256 I258C237-C251 HydrophobicContact CB-CB 4.11Å; C237-C251 VanDerWaalsContact SG-CB 3.56Å; C237-C251 VanDerWaalsContact SG-SG 3.61Å; C251-Q253 PolarHBondContact O-N 3.43Å; C251-G255 VanDerWaalsContact O-CA 3.29Å; C251-G255 WeakPolarHBondContact O-CA 3.4Å; C251-G255 PolarHBondContact O-N 3.46Å; C251-A256 HydrophobicContact CB-CB 4.47Å; C251-A256 PolarHBondContact N-O 3.16Å; C251-I258 HydrophobicContact CB-CD1 4.5Å
252P58.2Low55.3Low119 Ų11976.5 Ų76.577%0.77344%0.443SS*.THydrogen-bonded Turntrans-71.6-11.6-178.928.9-35.5000113.9
253Q54.1Low54.7Low146 Ų14677.6 Ų77.668%0.68246%0.456SS*.THydrogen-bonded Turntrans-93.8-40.9178.9-82.1-74.5-2600113C251C251-Q253 PolarHBondContact O-N 3.43Å
254C58.5Low53.8Low54 Ų5481.4 Ų81.437%0.36547%0.469SS..THydrogen-bonded Turntrans-130.93.4-170.3540000114.6C240 A256C240-C254 HydrophobicContact CB-CB 4.5Å; C240-C254 WeakPolarHBondContact CB-SG 3.25Å; C240-C254 WeakPolarHBondContact SG-CB 3.21Å; C240-C254 CovalentContact SG-SG 2.06Å; C240-C254 PolarHBondContact SG-SG 3.48Å; C254-A256 PolarHBondContact O-N 3.49Å; C254-A256 VanDerWaalsContact O-N 3.09Å
255G54.8Low53.2Low50 Ų5091.4 Ų91.452%0.51551%0.506SS..  trans70.70.9175.300000115.3C251C251-G255 VanDerWaalsContact O-CA 3.29Å; C251-G255 WeakPolarHBondContact O-CA 3.4Å; C251-G255 PolarHBondContact O-N 3.46Å
256A59.2Low52Low6 Ų692.3 Ų92.35%0.0552%0.517CS..PPolyproline II helixtrans-64.7139.2-179.800000111.5R239 F250 C251 C254 I258R239-A256 HydrophobicContact CB-CB 4.39Å; R239-A256 HydrophobicContact CG-CB 4.12Å; F250-A256 CarbonylContact C-O 3.46Å; F250-A256 WeakPolarHBondContact CA-O 3.3Å; C251-A256 HydrophobicContact CB-CB 4.47Å; C251-A256 PolarHBondContact N-O 3.16Å; C254-A256 PolarHBondContact O-N 3.49Å; C254-A256 VanDerWaalsContact O-N 3.09Å; A256-I258 PolarHBondContact O-N 3.36Å
257V58.5Low51.1Low101 Ų10194.6 Ų94.661%0.61253%0.531SS*.BIsolated β-bridgetrans-64.1129.9175.2-1780000109.4R249 F250R249-V257 WeakPolarHBondContact O-CA 3.03Å; F250-V257 HydrophobicContact CD1-CG2 4.01Å; F250-V257 HydrophobicContact CE1-CG2 3.85Å
258I61.2Low50.2Low2 Ų292.6 Ų92.61%0.0154%0.536CS..PPolyproline II helixtrans-91.7122.1176.4-61167.1000107.9P235 A248 R249 C251 A256P235-I258 HydrophobicContact CB-CG2 4.18Å; A248-I258 HydrophobicContact CB-CD1 3.8Å; R249-I258 PolarHBondContact O-N 2.86Å; C251-I258 HydrophobicContact CB-CD1 4.5Å; A256-I258 PolarHBondContact O-N 3.36Å
259P51.2Low49.3Very low79 Ų7996 Ų9651%0.51356%0.564SS.*PPolyproline II helixtrans-57.4137177.3-20.430.6000110.6V261P259-V261 PolarHBondContact O-N 3.34Å
260P50.3Low48.1Very low91 Ų9194.2 Ų94.259%0.59158%0.58SS**PPolyproline II helixtrans-57.9128.1168.922.8-28.4000109.6
261V49.1Very low46.8Very low83 Ų8399.7 Ų99.750%0.50360%0.596SS.*PPolyproline II helixtrans-63.4127.2170.5-176.30000107.5P235 P259 A263P235-V261 HydrophobicContact CB-CG2 3.9Å; P235-V261 HydrophobicContact CG-CG2 3.99Å; P259-V261 PolarHBondContact O-N 3.34Å; V261-A263 PolarHBondContact O-N 2.85Å
262P40.6Very low46.3Very low117 Ų117103 Ų10376%0.7663%0.631SS**PPolyproline II helixtrans-56.8121.9173.8-22.432.8000109.5L264P262-L264 PolarHBondContact O-N 3.47Å
263A39.1Very low46.3Very low72 Ų72103.7 Ų103.760%0.59562%0.624SS**  trans-67.8113.9-171.400000112.1V261 R265V261-A263 PolarHBondContact O-N 2.85Å; A263-R265 HydrophobicContact CB-CB 4.4Å; A263-R265 HydrophobicContact CB-CG 4Å; A263-R265 PolarHBondContact O-N 2.86Å
264L33.3Very low46.8Very low178 Ų178101.9 Ų101.993%0.93262%0.618SS**  trans-81.180.4145.4-75.6169.3000107.2P262 P266P262-L264 PolarHBondContact O-N 3.47Å; L264-P266 WeakPolarHBondContact O-CD 3.39Å
265R37.3Very low46.8Very low219 Ų21999.6 Ų99.683%0.82660%0.602SS**PPolyproline II helixtrans-84.9116168.3-92.6171.9-178167.70.9108.4A263A263-R265 HydrophobicContact CB-CB 4.4Å; A263-R265 HydrophobicContact CB-CG 4Å; A263-R265 PolarHBondContact O-N 2.86Å
266P31Very low47.3Very low111 Ų111100.4 Ų100.472%0.72160%0.599SS**PPolyproline II helixtrans-65.1148147.5-1127000108.5L264L264-P266 WeakPolarHBondContact O-CD 3.39Å
267P33.2Very low47.8Very low114 Ų114100.1 Ų100.174%0.7460%0.596SS**PPolyproline II helixtrans-60.9151.3-177.826.6-33.3000110.8A269P267-A269 PolarHBondContact O-N 3.04Å
268P35.8Very low47.9Very low132 Ų13299.1 Ų99.186%0.85759%0.592SS**  trans-61.7112.8176.725-31.5000109.4G270P268-G270 PolarHBondContact O-N 3.29Å
269A37.5Very low47.8Very low92 Ų92103.2 Ų103.276%0.7662%0.621SS**PPolyproline II helixtrans-63.4132.5166.700000108.5P267P267-A269 PolarHBondContact O-N 3.04Å
270G37.6Very low48.1Very low72 Ų72101.6 Ų101.674%0.74261%0.611SS**PPolyproline II helixtrans-53.4157.4178.500000112.7P268 G272P268-G270 PolarHBondContact O-N 3.29Å; G270-G272 PolarHBondContact O-N 2.68Å
271R38.3Very low48.4Very low252 Ų252107.3 Ų107.395%0.95162%0.621SS**SBendtrans-49.4128.4-179.6-62.5170.6175.3-98.31.1111.3
272G52.9Low48.9Very low73 Ų73105.3 Ų105.375%0.75361%0.61SS**  trans112.711.4136.100000121.4G270G270-G272 PolarHBondContact O-N 2.68Å
273Q58.4Low50.1Low134 Ų134105.5 Ų105.563%0.62660%0.604SS**  trans-125.984173.6-78132.429.500112.3I286Q273-I286 HydrophobicContact CB-CB 3.83Å; Q273-I286 HydrophobicContact CB-CD1 4.07Å; Q273-I286 HydrophobicContact CB-CG2 3.44Å; Q273-I286 VanDerWaalsContact CB-CG2 3.44Å; Q273-I286 HydrophobicContact CG-CD1 4.2Å; Q273-I286 HydrophobicContact CG-CG2 4.44Å; Q273-I286 WeakPolarHBondContact O-CB 3.47Å; Q273-I286 PolarHBondContact O-N 3.26Å
274L64.4Low51.3Low108 Ų108102.3 Ų102.357%0.56558%0.577SS**EExtended strand (participates in β ladder)trans-105.9136.7165.7-62.3172000108L283 V284 P285L274-L283 HydrophobicContact CB-CB 4.3Å; L274-L283 HydrophobicContact CD1-CB 4.3Å; L274-V284 CarbonylContact C-O 3.45Å; L274-V284 VanDerWaalsContact CA-O 3.24Å; L274-V284 WeakPolarHBondContact CA-O 3.48Å; L274-P285 HydrophobicContact CD2-CG 4.29Å
275L60.1Low52.8Low5 Ų595.3 Ų95.33%0.02654%0.542CS..EExtended strand (participates in β ladder)trans-110.3148.9173.367.882.8000110.3V284 I286 T298L275-V284 HydrophobicContact CD1-CG2 3.39Å; L275-V284 HydrophobicContact CG-CG2 3.86Å; L275-V284 PolarHBondContact N-O 2.8Å; L275-V284 WeakPolarHBondContact O-CG2 3.34Å; L275-V284 PolarHBondContact O-N 3.2Å; L275-I286 HydrophobicContact CD2-CG1 4.3Å; L275-T298 HydrophobicContact CD1-CG2 4.28Å
276P63.8Low53.9Low67 Ų6788 Ų8844%0.43552%0.519SS..EExtended strand (participates in β ladder)trans-75.713117029.8-31.2000110.2S301P276-S301 PolarHBondContact O-OG 3.22Å; P276-S301 VanDerWaalsContact O-OG 3.11Å
277C69.6Low55.2Low1 Ų188.9 Ų88.91%0.00752%0.518CS..  trans-61.6134.91731750000110.8S279 C280 R281 C282 C291 C294C277-S279 PolarHBondContact O-N 2.97Å; C277-S279 PolarHBondContact SG-N 3.31Å; C277-C280 VanDerWaalsContact SG-SG 3.7Å; C277-R281 WeakPolarHBondContact O-CA 3.25Å; C277-R281 PolarHBondContact O-N 3.24Å; C277-C282 PolarHBondContact N-O 3.26Å; C277-C291 HydrophobicContact CB-CB 4.11Å; C277-C294 PolarHBondContact SG-SG 2.82Å
278P62Low56.5Low80 Ų8084 Ų8452%0.51949%0.486SS..THydrogen-bonded Turntrans-69.3-20.8-177.627.1-33000113.4S301P278-S301 WeakPolarHBondContact CD-OG 3.49Å
279S57.7Low57.8Low88 Ų8883.8 Ų83.862%0.61547%0.473SS*.THydrogen-bonded Turntrans-90.7-51.9-179.4-178.50000112.6C277C277-S279 PolarHBondContact O-N 2.97Å; C277-S279 PolarHBondContact SG-N 3.31Å
280C58.4Low58.8Low45 Ų4582.9 Ų82.930%0.30446%0.459SS..THydrogen-bonded Turntrans-115.80.2-172.7570000114.9C277 C282 C291 C294C277-C280 VanDerWaalsContact SG-SG 3.7Å; C280-C282 PolarHBondContact O-N 3.13Å; C280-C291 PolarHBondContact SG-SG 3.17Å; C280-C294 HydrophobicContact CB-CB 3.7Å; C280-C294 WeakPolarHBondContact CB-SG 3.24Å; C280-C294 WeakPolarHBondContact SG-CB 3.27Å; C280-C294 CovalentContact SG-SG 2.07Å; C280-C294 PolarHBondContact SG-SG 3.22Å
281R56.3Low60.1Low210 Ų21079.5 Ų79.579%0.79242%0.424SS*.  trans57.96.8-179.2-64.2-169.3175173.3-0.9116.7C277C277-R281 WeakPolarHBondContact O-CA 3.25Å; C277-R281 PolarHBondContact O-N 3.24Å
282C60.4Low61.3Low41 Ų4177 Ų7728%0.27741%0.414SS..  trans-60.4140.8170.5-61.60000110.5C277 C280 V284C277-C282 PolarHBondContact N-O 3.26Å; C280-C282 PolarHBondContact O-N 3.13Å; C282-V284 PolarHBondContact O-N 2.88Å
283L64.2Low61.7Low122 Ų12278.4 Ų78.464%0.63941%0.408SS*.EExtended strand (participates in β ladder)trans-74.6119.4177-64.1177.5000109.3L274L274-L283 HydrophobicContact CB-CB 4.3Å; L274-L283 HydrophobicContact CD1-CB 4.3Å
284V65.2Low61.5Low5 Ų574.2 Ų74.23%0.0339%0.393CS..EExtended strand (participates in β ladder)trans-123.9149.7-178.6-63.60000109.9L274 L275 C282 C291 T298L274-V284 CarbonylContact C-O 3.45Å; L274-V284 VanDerWaalsContact CA-O 3.24Å; L274-V284 WeakPolarHBondContact CA-O 3.48Å; L275-V284 HydrophobicContact CD1-CG2 3.39Å; L275-V284 HydrophobicContact CG-CG2 3.86Å; L275-V284 PolarHBondContact N-O 2.8Å; L275-V284 WeakPolarHBondContact O-CG2 3.34Å; L275-V284 PolarHBondContact O-N 3.2Å; C282-V284 PolarHBondContact O-N 2.88Å; V284-C291 HydrophobicContact CG1-CB 4.14Å; V284-T298 HydrophobicContact CG2-CG2 3.75Å
285P65.6Low61.7Low30 Ų3077 Ų7720%0.19540%0.404CS..EExtended strand (participates in β ladder)trans-55.8140.5176.6-25.235.3000112.6L274 N287 S288 W292L274-P285 HydrophobicContact CD2-CG 4.29Å; P285-N287 WeakPolarHBondContact CB-OD1 3.12Å; P285-N287 PolarHBondContact O-N 3.48Å; P285-N287 VanDerWaalsContact O-N 3.12Å; P285-S288 VanDerWaalsContact O-CB 3.31Å; P285-S288 WeakPolarHBondContact O-CB 3.11Å; P285-S288 PolarHBondContact O-N 3.3Å; P285-S288 PolarHBondContact O-OG 3.15Å; P285-W292 HydrophobicContact CG-CH2 4.23Å
286I59.9Low62Low67 Ų6778 Ų7834%0.34441%0.413SS..THydrogen-bonded Turntrans-59.1-26.4179.3-166.1164.6000113.4Q273 L275Q273-I286 HydrophobicContact CB-CB 3.83Å; Q273-I286 HydrophobicContact CB-CD1 4.07Å; Q273-I286 HydrophobicContact CB-CG2 3.44Å; Q273-I286 VanDerWaalsContact CB-CG2 3.44Å; Q273-I286 HydrophobicContact CG-CD1 4.2Å; Q273-I286 HydrophobicContact CG-CG2 4.44Å; Q273-I286 WeakPolarHBondContact O-CB 3.47Å; Q273-I286 PolarHBondContact O-N 3.26Å; L275-I286 HydrophobicContact CD2-CG1 4.3Å
287N58.8Low62.2Low129 Ų12977.6 Ų77.669%0.6941%0.411SS*.THydrogen-bonded Turntrans-89.1-317766.3-30.3000113.4P285P285-N287 WeakPolarHBondContact CB-OD1 3.12Å; P285-N287 PolarHBondContact O-N 3.48Å; P285-N287 VanDerWaalsContact O-N 3.12Å
288S60.6Low61.9Low11 Ų1177.5 Ų77.58%0.07741%0.411CS..  trans-78.3130.2172.869.90000109.4P285 T298P285-S288 VanDerWaalsContact O-CB 3.31Å; P285-S288 WeakPolarHBondContact O-CB 3.11Å; P285-S288 PolarHBondContact O-N 3.3Å; P285-S288 PolarHBondContact O-OG 3.15Å; S288-T298 PolarHBondContact O-OG1 3.17Å
289Q61.7Low62Low127 Ų12777.5 Ų77.559%0.59341%0.406SS*.SBendtrans-89.8-11.2176.2-61.7-163500112.7T298Q289-T298 WeakPolarHBondContact CA-OG1 3.27Å; Q289-T298 PolarHBondContact O-N 2.89Å; Q289-T298 PolarHBondContact O-OG1 3.34Å
290T59.4Low62Low74 Ų7475.9 Ų75.945%0.45440%0.403SS..BIsolated β-bridgetrans-139.5142-178.651.90000110.3W292T290-W292 PolarHBondContact O-N 3.46Å
291C64.4Low61.9Low1 Ų174.6 Ų74.61%0.00740%0.395CS..  trans-75.5124.4175.6-179.50000110.8C277 C280 V284 T293 E295 A296C277-C291 HydrophobicContact CB-CB 4.11Å; C280-C291 PolarHBondContact SG-SG 3.17Å; V284-C291 HydrophobicContact CG1-CB 4.14Å; C291-T293 PolarHBondContact O-N 3.14Å; C291-T293 VanDerWaalsContact O-N 3.13Å; C291-T293 PolarHBondContact SG-N 3.42Å; C291-T293 VanDerWaalsContact SG-N 3.42Å; C291-E295 WeakPolarHBondContact O-CA 3.33Å; C291-E295 PolarHBondContact O-N 2.91Å; C291-A296 PolarHBondContact N-O 2.72Å
292W63.5Low61.8Low199 Ų19970.5 Ų70.575%0.75438%0.38SS*.THydrogen-bonded Turntrans-72.2-5.7179.2-57.5-20.9000114.6P285 T290P285-W292 HydrophobicContact CG-CH2 4.23Å; T290-W292 PolarHBondContact O-N 3.46Å
293T62.1Low61.3Low102 Ų10272 Ų7263%0.62640%0.395SS*.THydrogen-bonded Turntrans-100.5-41178.9-50.80000112.5C291C291-T293 PolarHBondContact O-N 3.14Å; C291-T293 VanDerWaalsContact O-N 3.13Å; C291-T293 PolarHBondContact SG-N 3.42Å; C291-T293 VanDerWaalsContact SG-N 3.42Å
294C54Low60.5Low46 Ų4671.1 Ų71.131%0.31140%0.399SS..THydrogen-bonded Turntrans-124.15.9-176.159.20000113.8C277 C280 A296C277-C294 PolarHBondContact SG-SG 2.82Å; C280-C294 HydrophobicContact CB-CB 3.7Å; C280-C294 WeakPolarHBondContact CB-SG 3.24Å; C280-C294 WeakPolarHBondContact SG-CB 3.27Å; C280-C294 CovalentContact SG-SG 2.07Å; C280-C294 PolarHBondContact SG-SG 3.22Å; C294-A296 PolarHBondContact O-N 3.14Å
295E68.7Low59.3Low167 Ų16778.2 Ų78.278%0.7843%0.43SS*.  trans57.91.9178.2-60.1-178.8177.300115.5C291C291-E295 WeakPolarHBondContact O-CA 3.33Å; C291-E295 PolarHBondContact O-N 2.91Å
296A64.8Low58.1Low26 Ų2681.6 Ų81.622%0.21545%0.454CS..  trans-66.9144.8177.900000112.3C291 C294C291-A296 PolarHBondContact N-O 2.72Å; C294-A296 PolarHBondContact O-N 3.14Å
297S68.4Low57Low58 Ų5885.7 Ų85.741%0.40648%0.476SS..BIsolated β-bridgetrans-62.3140.1176.2167.10000111.3D299S297-D299 WeakPolarHBondContact OG-CB 3.23Å; S297-D299 PolarHBondContact OG-N 2.81Å; S297-D299 VanDerWaalsContact OG-N 3.12Å; S297-D299 PolarHBondContact OG-OD2 3.2Å
298T64.8Low56.1Low0 Ų088.5 Ų88.50%049%0.485CS..  trans-95.81177.556.40000112.7L275 V284 S288 Q289 G300 S301L275-T298 HydrophobicContact CD1-CG2 4.28Å; V284-T298 HydrophobicContact CG2-CG2 3.75Å; S288-T298 PolarHBondContact O-OG1 3.17Å; Q289-T298 WeakPolarHBondContact CA-OG1 3.27Å; Q289-T298 PolarHBondContact O-N 2.89Å; Q289-T298 PolarHBondContact O-OG1 3.34Å; T298-G300 PolarHBondContact O-N 3.21Å; T298-S301 PolarHBondContact O-N 3.24Å
299D63.6Low54.9Low80 Ų8094.5 Ų94.543%0.42852%0.52SS..Hα-helixtrans-62.2-30.7-175.6-66.8-44.1000112.8S297 S301 R302S297-D299 WeakPolarHBondContact OG-CB 3.23Å; S297-D299 PolarHBondContact OG-N 2.81Å; S297-D299 VanDerWaalsContact OG-N 3.12Å; S297-D299 PolarHBondContact OG-OD2 3.2Å; D299-S301 VanDerWaalsContact C-N 3.27Å; D299-S301 PolarHBondContact O-N 3.33Å; D299-R302 PolarHBondContact O-N 2.96Å; D299-R302 IonicContact OD1-NH1 3.6Å
300G58.3Low53.3Low53 Ų5396.1 Ų96.155%0.54653%0.533SS..Hα-helixtrans-64.2-27.3175.200000114.1T298T298-G300 PolarHBondContact O-N 3.21Å
301S54.6Low52.5Low19 Ų19101.3 Ų101.313%0.13355%0.552CS.*Hα-helixtrans-85.4-15179-60.90000113.1P276 P278 T298 D299P276-S301 PolarHBondContact O-OG 3.22Å; P276-S301 VanDerWaalsContact O-OG 3.11Å; P278-S301 WeakPolarHBondContact CD-OG 3.49Å; T298-S301 PolarHBondContact O-N 3.24Å; D299-S301 VanDerWaalsContact C-N 3.27Å; D299-S301 PolarHBondContact O-N 3.33Å
302R55.3Low50.7Low124 Ų124104.7 Ų104.747%0.46859%0.588SS.*Hα-helixtrans-78.4-29.6177.5-72.9170.969.7-175.43.6112.5D299 S304 F305D299-R302 PolarHBondContact O-N 2.96Å; D299-R302 IonicContact OD1-NH1 3.6Å; R302-S304 VanDerWaalsContact C-N 3.3Å; R302-S304 PolarHBondContact O-N 2.86Å; R302-F305 PolarHBondContact O-N 3.33Å
303A48.7Very low49.7Very low73 Ų7399.7 Ų99.760%0.60360%0.598SS**THydrogen-bonded Turntrans-67.6-26.8-179.200000113.5
304S48.2Very low48.3Very low103 Ų10398.3 Ų98.372%0.7260%0.604SS**THydrogen-bonded Turntrans-83.7-15.2-180-60.30000114.8R302R302-S304 VanDerWaalsContact C-N 3.3Å; R302-S304 PolarHBondContact O-N 2.86Å
305F40.1Very low47.2Very low154 Ų154102 Ų10268%0.67563%0.63SS**THydrogen-bonded Turntrans-99.5-6.4179.6-83.5-84.4000113.8R302R302-F305 PolarHBondContact O-N 3.33Å
306S41.2Very low45.7Very low101 Ų10198.4 Ų98.471%0.70663%0.629SS**SBendtrans-95.710.1-175.6-156.40000114.7
307L36.2Very low44.4Very low153 Ų153103 Ų10380%0.80166%0.656SS**SBendtrans-118.568.5171.3-76.2168.6000109.6
308Q39.5Very low43.2Very low188 Ų188106.2 Ų106.288%0.87968%0.679SS**  trans-178.759.1156.4-101.9170.615.400110.4
309V35.7Very low41.7Very low136 Ų136111.6 Ų111.682%0.82472%0.717SS**  trans-130.680.8155.3-178.90000105.9
310D28.3Very low40.3Very low161 Ų161110.6 Ų110.686%0.86173%0.725SS**  trans-93.5135.2161.9-154.8-96.2000108.2G312D310-G312 PolarHBondContact O-N 3.5Å
311Q41.6Very low39.6Very low183 Ų183114.5 Ų114.586%0.85574%0.741SS**  trans-77.5119.3-168.4-66166.235.200110.1
312G28.1Very low39Very low73 Ų73119.3 Ų119.375%0.75377%0.769SS**  trans-150.410417000000110.6D310D310-G312 PolarHBondContact O-N 3.5Å
313G41.4Very low38.4Very low93 Ų93120.8 Ų120.896%0.95979%0.786SS**  trans-62.6137.2172.800000111.8
314G32Very low38.6Very low74 Ų74121.8 Ų121.876%0.76379%0.789SS**  trans-169.9122.8173.600000110
315S31.3Very low39.3Very low123 Ų123120.9 Ų120.986%0.8678%0.783SS**  trans-52.7155.9-170.2-54.10000116.4
316A37.7Very low41Very low92 Ų92117.9 Ų117.976%0.7677%0.772SS**  trans-55.7140.7173.500000113.6
317P36.7Very low42.6Very low121 Ų121115.4 Ų115.479%0.78675%0.747SS**  trans-87.3108.3156.131.5-23.6000108.7S319P317-S319 PolarHBondContact O-N 2.88Å
318S44.7Very low44.7Very low126 Ų126111.8 Ų111.888%0.88174%0.735SS**  trans-63.7115.8160.7-163.90000107.9
319S32.7Very low46.6Very low114 Ų114102.9 Ų102.980%0.79769%0.693SS**  trans-118.6134.916749.50000108.4P317P317-S319 PolarHBondContact O-N 2.88Å
320G33.2Very low48.6Very low58 Ų58101 Ų10160%0.59869%0.686SS**  trans-77.1-161.5-157.800000115.4V322G320-V322 PolarHBondContact O-N 3.44Å
321P44.1Very low50.7Low136 Ų13697.2 Ų97.288%0.88367%0.672SS**  trans-71104.6-15729.8-32.7000110.3D323P321-D323 PolarHBondContact O-N 2.8Å; P321-D323 VanDerWaalsContact O-N 3.16Å
322V42.6Very low52.6Low119 Ų11990.6 Ų90.672%0.72165%0.645SS**  trans-64.5114.8166.5172.50000106.8G320 S324G320-V322 PolarHBondContact O-N 3.44Å; V322-S324 PolarHBondContact O-N 2.91Å; V322-S324 PolarHBondContact O-OG 3.23Å; V322-S324 VanDerWaalsContact O-OG 3.1Å
323D43.5Very low55Low155 Ų15597.3 Ų97.383%0.82965%0.648SS**  trans-48.2102.8179.5-121.5-19.5000109.1P321 S325P321-D323 PolarHBondContact O-N 2.8Å; P321-D323 VanDerWaalsContact O-N 3.16Å; D323-S325 PolarHBondContact O-N 2.81Å
324S51.3Low56.7Low95 Ų9598.9 Ų98.966%0.66463%0.625SS**  trans-7972.9-174.7-63.80000107V322 M326V322-S324 PolarHBondContact O-N 2.91Å; V322-S324 PolarHBondContact O-OG 3.23Å; V322-S324 VanDerWaalsContact O-OG 3.1Å; S324-M326 WeakPolarHBondContact O-CG 3.36Å; S324-M326 PolarHBondContact O-N 3.42Å; S324-M326 VanDerWaalsContact O-N 3.12Å
325S63.6Low59Low84 Ų8499.2 Ų99.259%0.58761%0.609SS**  trans-61122.2172.4-166.10000107.2D323 H338D323-S325 PolarHBondContact O-N 2.81Å; S325-H338 WeakPolarHBondContact O-CB 3.06Å; S325-H338 PolarHBondContact O-N 2.98Å; S325-H338 PolarHBondContact O-ND1 3.3Å
326M76.4Confident61.2Low90 Ų9093.7 Ų93.744%0.44357%0.57SS.*EExtended strand (participates in β ladder)trans-117.7134.3-177.7-69.1176.778.500107.9S324 L335 N336S324-M326 WeakPolarHBondContact O-CG 3.36Å; S324-M326 PolarHBondContact O-N 3.42Å; S324-M326 VanDerWaalsContact O-N 3.12Å; M326-L335 HydrophobicContact CB-CB 4.45Å; M326-L335 HydrophobicContact CB-CD2 3.57Å; M326-L335 HydrophobicContact CB-CG 3.7Å; M326-L335 HydrophobicContact CE-CB 3.76Å; M326-L335 HydrophobicContact CE-CD2 3.95Å; M326-L335 HydrophobicContact CE-CG 4.18Å; M326-L335 HydrophobicContact CG-CD2 4.26Å; M326-L335 HydrophobicContact SD-CD2 3.76Å; M326-L335 HydrophobicContact SD-CG 4.49Å; M326-N336 CarbonylContact C-O 3.31Å; M326-N336 VanDerWaalsContact C-O 3.31Å; M326-N336 WeakPolarHBondContact CA-O 3.28Å; M326-N336 WeakPolarHBondContact CB-O 3.36Å
327W73.8Confident62.9Low50 Ų5098.1 Ų98.119%0.18957%0.567CS.*EExtended strand (participates in β ladder)trans-96.5136.1176.969.5-82.5000110.3C329 N336 R337 A340 C343 A350W327-C329 HydrophobicContact CZ3-CB 4.22Å; W327-N336 HydrophobicContact CD2-CB 4.11Å; W327-N336 HydrophobicContact CG-CB 4.24Å; W327-N336 HydrophobicContact CZ2-CB 3.94Å; W327-N336 PolarHBondContact N-O 3.43Å; W327-N336 VanDerWaalsContact NE1-CB 3.33Å; W327-N336 PolarHBondContact O-N 3.13Å; W327-R337 PolarHBondContact NE1-O 3.38Å; W327-R337 VanDerWaalsContact NE1-O 3.12Å; W327-A340 PolarHBondContact NE1-O 3.35Å; W327-C343 HydrophobicContact CH2-CB 4.2Å; W327-A350 HydrophobicContact CD2-CB 4.33Å; W327-A350 HydrophobicContact CE3-CB 4.36Å; W327-A350 HydrophobicContact CH2-CB 3.7Å; W327-A350 HydrophobicContact CZ2-CB 3.65Å; W327-A350 HydrophobicContact CZ3-CB 4.04Å
328S79.8Confident64.3Low76 Ų7698.3 Ų98.353%0.53156%0.557SS.*EExtended strand (participates in β ladder)trans-81.6127.7173.464.10000110.3S330S328-S330 PolarHBondContact O-N 3.38Å
329C80.1Confident65.1Low1 Ų197.5 Ų97.51%0.00754%0.543CS..PPolyproline II helixtrans-61.1127.2174.5179.30000111W327 S331 C332 R333 R334 C343 C346W327-C329 HydrophobicContact CZ3-CB 4.22Å; C329-S331 VanDerWaalsContact C-N 3.26Å; C329-S331 PolarHBondContact O-N 2.94Å; C329-S331 PolarHBondContact SG-N 2.81Å; C329-C332 VanDerWaalsContact SG-SG 3.61Å; C329-R333 WeakPolarHBondContact O-CA 3.46Å; C329-R333 PolarHBondContact O-N 3.15Å; C329-R334 WeakPolarHBondContact CB-O 3.33Å; C329-R334 PolarHBondContact N-O 3.12Å; C329-C343 HydrophobicContact CB-CB 4.01Å; C329-C346 PolarHBondContact SG-SG 3.06Å
330S78.4Confident66.8Low98 Ų9893.5 Ų93.569%0.68552%0.516SS*.THydrogen-bonded Turntrans-61.8-32.3178.450.10000113.3S328S328-S330 PolarHBondContact O-N 3.38Å
331S72.7Confident69Low80 Ų8098 Ų9856%0.55952%0.515SS*.THydrogen-bonded Turntrans-85-41.6-177.5-58.90000114.1C329 T348C329-S331 VanDerWaalsContact C-N 3.26Å; C329-S331 PolarHBondContact O-N 2.94Å; C329-S331 PolarHBondContact SG-N 2.81Å; S331-T348 VanDerWaalsContact CB-OG1 3.24Å; S331-T348 WeakPolarHBondContact CB-OG1 3.36Å; S331-T348 VanDerWaalsContact OG-CG2 3.27Å; S331-T348 WeakPolarHBondContact OG-CG2 3.23Å; S331-T348 PolarHBondContact OG-OG1 2.8Å
332C80Confident70.6Confident44 Ų4497.2 Ų97.230%0.29750%0.499SS..THydrogen-bonded Turntrans-1243.8-172.474.90000114.3C329 R334 C346C329-C332 VanDerWaalsContact SG-SG 3.61Å; C332-R334 PolarHBondContact O-N 3.14Å; C332-R334 VanDerWaalsContact SG-CB 3.55Å; C332-C346 HydrophobicContact CB-CB 4.2Å; C332-C346 PolarHBondContact SG-SG 2.89Å
333R79.3Confident72.4Confident215 Ų21591.7 Ų91.781%0.81147%0.465SS*.  trans57.26.8178.9-58.6-173.4-176.1171.51116C329 L335C329-R333 WeakPolarHBondContact O-CA 3.46Å; C329-R333 PolarHBondContact O-N 3.15Å; R333-L335 PolarHBondContact O-N 3.46Å
334R77.5Confident74Confident125 Ų12589.7 Ų89.747%0.47245%0.454SS..  trans-60.8132.6173.5-173.566174.8134.31.9109.7C329 C332 N336C329-R334 WeakPolarHBondContact CB-O 3.33Å; C329-R334 PolarHBondContact N-O 3.12Å; C332-R334 PolarHBondContact O-N 3.14Å; C332-R334 VanDerWaalsContact SG-CB 3.55Å; R334-N336 PolarHBondContact O-ND2 3.39Å
335L80.7Confident75.4Confident82 Ų8294.4 Ų94.443%0.42946%0.458SS..EExtended strand (participates in β ladder)trans-78.7124.4174.7-127.477.4000109.3M326 R333M326-L335 HydrophobicContact CB-CB 4.45Å; M326-L335 HydrophobicContact CB-CD2 3.57Å; M326-L335 HydrophobicContact CB-CG 3.7Å; M326-L335 HydrophobicContact CE-CB 3.76Å; M326-L335 HydrophobicContact CE-CD2 3.95Å; M326-L335 HydrophobicContact CE-CG 4.18Å; M326-L335 HydrophobicContact CG-CD2 4.26Å; M326-L335 HydrophobicContact SD-CD2 3.76Å; M326-L335 HydrophobicContact SD-CG 4.49Å; R333-L335 PolarHBondContact O-N 3.46Å
336N76.8Confident76Confident6 Ų693 Ų933%0.03245%0.447CS..EExtended strand (participates in β ladder)trans-116.5155.5-179.2-65.9-88.4000109.1M326 W327 R334 A340 C343 D344M326-N336 CarbonylContact C-O 3.31Å; M326-N336 VanDerWaalsContact C-O 3.31Å; M326-N336 WeakPolarHBondContact CA-O 3.28Å; M326-N336 WeakPolarHBondContact CB-O 3.36Å; W327-N336 HydrophobicContact CD2-CB 4.11Å; W327-N336 HydrophobicContact CG-CB 4.24Å; W327-N336 HydrophobicContact CZ2-CB 3.94Å; W327-N336 PolarHBondContact N-O 3.43Å; W327-N336 VanDerWaalsContact NE1-CB 3.33Å; W327-N336 PolarHBondContact O-N 3.13Å; R334-N336 PolarHBondContact O-ND2 3.39Å; N336-A340 HydrophobicContact CB-CB 4.24Å; N336-C343 WeakPolarHBondContact OD1-CA 3.3Å; N336-D344 PolarHBondContact OD1-N 2.84Å; N336-D344 VanDerWaalsContact OD1-N 3.15Å; N336-D344 PolarHBondContact OD1-OD1 2.92Å
337R72.9Confident75.7Confident186 Ų18691 Ų9170%0.70245%0.449SS*.EExtended strand (participates in β ladder)trans-63.4143.3171.5-65.9-175.1173.9-173-2.9110.3W327 D339 A340W327-R337 PolarHBondContact NE1-O 3.38Å; W327-R337 VanDerWaalsContact NE1-O 3.12Å; R337-D339 WeakPolarHBondContact CB-OD1 3.1Å; R337-D339 PolarHBondContact O-N 2.07Å; R337-D339 VanDerWaalsContact O-N 3.09Å; R337-A340 VanDerWaalsContact O-CB 3.23Å; R337-A340 WeakPolarHBondContact O-CB 3.08Å; R337-A340 PolarHBondContact O-N 2.88Å
338H67.4Low75.5Confident125 Ų12590.4 Ų90.458%0.57945%0.451SS*.THydrogen-bonded Turntrans-53.5-28.7-178.363.9-77.8000114.6S325 A340S325-H338 WeakPolarHBondContact O-CB 3.06Å; S325-H338 PolarHBondContact O-N 2.98Å; S325-H338 PolarHBondContact O-ND1 3.3Å; H338-A340 VanDerWaalsContact C-N 3.33Å
339D60.6Low75Confident108 Ų10892.3 Ų92.358%0.57845%0.45SS*.THydrogen-bonded Turntrans-81.3-10.4178.966.9-31.3000113.6R337 R341R337-D339 WeakPolarHBondContact CB-OD1 3.1Å; R337-D339 PolarHBondContact O-N 2.07Å; R337-D339 VanDerWaalsContact O-N 3.09Å; D339-R341 PolarHBondContact O-N 3.46Å
340A69.4Low74.5Confident30 Ų3093.3 Ų93.325%0.24846%0.458CS..  trans-73.1119.1179.900000111.5W327 N336 R337 H338W327-A340 PolarHBondContact NE1-O 3.35Å; N336-A340 HydrophobicContact CB-CB 4.24Å; R337-A340 VanDerWaalsContact O-CB 3.23Å; R337-A340 WeakPolarHBondContact O-CB 3.08Å; R337-A340 PolarHBondContact O-N 2.88Å; H338-A340 VanDerWaalsContact C-N 3.33Å
341R77.6Confident73.5Confident152 Ų15292.1 Ų92.157%0.57446%0.462SS*.SBendtrans-78.8-18.4-179.4-52.8-173.398.2173.69.2114D339 A350D339-R341 PolarHBondContact O-N 3.46Å; R341-A350 PolarHBondContact O-N 3.05Å
342F78.7Confident72.4Confident121 Ų12194.6 Ų94.653%0.53146%0.464SS..BIsolated β-bridgetrans-138.1150.8178.7-54.8-84.2000108.7D344 K349F342-D344 PolarHBondContact O-N 3.42Å; F342-K349 HydrophobicContact CD1-CB 3.98Å; F342-K349 HydrophobicContact CD1-CG 4.13Å; F342-K349 HydrophobicContact CE1-CB 4.05Å; F342-K349 HydrophobicContact CE1-CD 4.38Å; F342-K349 HydrophobicContact CE1-CG 3.88Å
343C80.9Confident70.8Confident3 Ų396.2 Ų96.22%0.0248%0.481CS..  trans-66.7127.3170.5175.80000110.1W327 C329 N336 R345 C346 G347 T348W327-C343 HydrophobicContact CH2-CB 4.2Å; C329-C343 HydrophobicContact CB-CB 4.01Å; N336-C343 WeakPolarHBondContact OD1-CA 3.3Å; C343-R345 PolarHBondContact O-N 3.48Å; C343-C346 VanDerWaalsContact SG-SG 3.62Å; C343-G347 VanDerWaalsContact O-CA 3.28Å; C343-G347 WeakPolarHBondContact O-CA 3.43Å; C343-G347 PolarHBondContact O-N 2.76Å; C343-T348 PolarHBondContact N-O 3.5Å
344D75.9Confident69.1Low113 Ų11391.7 Ų91.760%0.60448%0.479SS*.THydrogen-bonded Turntrans-55.4-33.8178.464.5-17000113.9N336 F342N336-D344 PolarHBondContact OD1-N 2.84Å; N336-D344 VanDerWaalsContact OD1-N 3.15Å; N336-D344 PolarHBondContact OD1-OD1 2.92Å; F342-D344 PolarHBondContact O-N 3.42Å
345R80.8Confident68Low194 Ų19489.5 Ų89.573%0.73248%0.482SS*.THydrogen-bonded Turntrans-91.3-44.2-174.8-177.1173.8173.1-167.1-1.5113.9C343C343-R345 PolarHBondContact O-N 3.48Å
346C76.7Confident66.9Low55 Ų5594 Ų9437%0.37249%0.494SS..THydrogen-bonded Turntrans-115.2-5.1-171.374.10000114.2C329 C332 C343 T348C329-C346 PolarHBondContact SG-SG 3.06Å; C332-C346 HydrophobicContact CB-CB 4.2Å; C332-C346 PolarHBondContact SG-SG 2.89Å; C343-C346 VanDerWaalsContact SG-SG 3.62Å; C346-T348 PolarHBondContact O-N 3.4Å; C346-T348 VanDerWaalsContact O-N 3.15Å; C346-T348 PolarHBondContact SG-OG1 3.25Å
347G69.4Low66.4Low47 Ų4795.6 Ų95.649%0.48550%0.503SS..  trans71.12.6179.200000115.2C343 K349C343-G347 VanDerWaalsContact O-CA 3.28Å; C343-G347 WeakPolarHBondContact O-CA 3.43Å; C343-G347 PolarHBondContact O-N 2.76Å; G347-K349 PolarHBondContact O-N 3.04Å
348T70.3Confident65.8Low38 Ų3889.6 Ų89.623%0.23349%0.488CS..PPolyproline II helixtrans-61.1126.5176.2-63.20000109.3S331 C343 C346S331-T348 VanDerWaalsContact CB-OG1 3.24Å; S331-T348 WeakPolarHBondContact CB-OG1 3.36Å; S331-T348 VanDerWaalsContact OG-CG2 3.27Å; S331-T348 WeakPolarHBondContact OG-CG2 3.23Å; S331-T348 PolarHBondContact OG-OG1 2.8Å; C343-T348 PolarHBondContact N-O 3.5Å; C346-T348 PolarHBondContact O-N 3.4Å; C346-T348 VanDerWaalsContact O-N 3.15Å; C346-T348 PolarHBondContact SG-OG1 3.25Å
349K70.1Confident65.7Low115 Ų11583.9 Ų83.950%0.546%0.461SS..BIsolated β-bridgetrans-63.1136.8178.5-168.7-179.8177.6-169.10110.2F342 G347 G351 H352F342-K349 HydrophobicContact CD1-CB 3.98Å; F342-K349 HydrophobicContact CD1-CG 4.13Å; F342-K349 HydrophobicContact CE1-CB 4.05Å; F342-K349 HydrophobicContact CE1-CD 4.38Å; F342-K349 HydrophobicContact CE1-CG 3.88Å; G347-K349 PolarHBondContact O-N 3.04Å; K349-G351 PolarHBondContact O-N 2.94Å; K349-H352 WeakPolarHBondContact CE-NE2 3.14Å; K349-H352 PolarHBondContact NZ-NE2 3.09Å; K349-H352 VanDerWaalsContact NZ-NE2 3.13Å
350A68Low66.1Low22 Ų2287.1 Ų87.118%0.18247%0.466CS..PPolyproline II helixtrans-58.5130172.100000109.3W327 R341 H352W327-A350 HydrophobicContact CD2-CB 4.33Å; W327-A350 HydrophobicContact CE3-CB 4.36Å; W327-A350 HydrophobicContact CH2-CB 3.7Å; W327-A350 HydrophobicContact CZ2-CB 3.65Å; W327-A350 HydrophobicContact CZ3-CB 4.04Å; R341-A350 PolarHBondContact O-N 3.05Å; A350-H352 PolarHBondContact O-N 3.2Å
351G57.2Low65.3Low73 Ų7393.3 Ų93.375%0.75348%0.483SS*.PPolyproline II helixtrans-63.1118.3170.700000108.1K349 A353K349-G351 PolarHBondContact O-N 2.94Å; G351-A353 PolarHBondContact O-N 3.12Å
352H49.8Very low64.7Low132 Ų13288.8 Ų88.861%0.61147%0.474SS*.PPolyproline II helixtrans-64.9126.5-176.9-76.9-94.5000110.2K349 A350K349-H352 WeakPolarHBondContact CE-NE2 3.14Å; K349-H352 PolarHBondContact NZ-NE2 3.09Å; K349-H352 VanDerWaalsContact NZ-NE2 3.13Å; A350-H352 PolarHBondContact O-N 3.2Å
353A47.1Very low63.8Low78 Ų7885.4 Ų85.465%0.64547%0.473SS*.PPolyproline II helixtrans-63.8136.6155.900000108.2G351 C355G351-A353 PolarHBondContact O-N 3.12Å; A353-C355 PolarHBondContact O-N 2.81Å; A353-C355 VanDerWaalsContact O-N 3.17Å
354P44.2Very low63Low120 Ų12090.2 Ų90.278%0.77950%0.495SS*.  trans-71114.2-175.827-31.6000109.7
355C52.8Low62.6Low80 Ų8088 Ų8854%0.54149%0.489SS..  trans-86.9136.3168.2-57.20000108.7A353 L368A353-C355 PolarHBondContact O-N 2.81Å; A353-C355 VanDerWaalsContact O-N 3.17Å; C355-L368 HydrophobicContact CB-CB 4.45Å; C355-L368 HydrophobicContact CB-CD1 3.14Å; C355-L368 HydrophobicContact CB-CG 4.35Å; C355-L368 WeakPolarHBondContact O-CB 3.41Å; C355-L368 PolarHBondContact O-N 2.92Å
356W57.9Low61.7Low177 Ų17779 Ų7967%0.6746%0.456SS*.EExtended strand (participates in β ladder)trans-108151.117935.617.5000112.1A366W356-A366 CarbonylContact C-O 3.52Å; W356-A366 VanDerWaalsContact CA-O 3.27Å; W356-A366 WeakPolarHBondContact CA-O 3.09Å
357V66.1Low61Low38 Ų3879.8 Ų79.823%0.2346%0.46CS..EExtended strand (participates in β ladder)trans-124.1141.4174.655.10000109.2A366 L368 L380V357-A366 HydrophobicContact CG1-CB 4.36Å; V357-A366 WeakPolarHBondContact CG1-O 3.2Å; V357-A366 PolarHBondContact N-O 2.78Å; V357-A366 PolarHBondContact O-N 2.89Å; V357-A366 VanDerWaalsContact O-O 3.14Å; V357-L368 HydrophobicContact CB-CG 4.26Å; V357-L368 HydrophobicContact CG1-CG 4.47Å; V357-L380 HydrophobicContact CG1-CD1 4.14Å
358T61.1Low60.5Low61 Ų6180.5 Ų80.537%0.37445%0.452SS..EExtended strand (participates in β ladder)trans-87.4131.1177.7-25.60000110.4W360 G363T358-W360 PolarHBondContact O-N 3.26Å; T358-G363 WeakPolarHBondContact CG2-O 3.05Å
359C65.9Low59.9Low4 Ų485.4 Ų85.43%0.02748%0.477CS..  trans-68.2121.6-179.4175.40000111.5R361 C362 G363 E364 C373 C376 V378 L380C359-R361 PolarHBondContact O-N 3.11Å; C359-R361 VanDerWaalsContact O-N 3.14Å; C359-R361 PolarHBondContact SG-N 2.86Å; C359-R361 VanDerWaalsContact SG-N 3.42Å; C359-C362 PolarHBondContact O-N 3.21Å; C359-G363 VanDerWaalsContact O-CA 3.3Å; C359-G363 WeakPolarHBondContact O-CA 3.1Å; C359-G363 PolarHBondContact O-N 2.58Å; C359-E364 VanDerWaalsContact CB-O 3.23Å; C359-E364 WeakPolarHBondContact CB-O 3.14Å; C359-E364 PolarHBondContact N-O 3.12Å; C359-C373 HydrophobicContact CB-CB 4.04Å; C359-C373 VanDerWaalsContact SG-SG 3.67Å; C359-C376 PolarHBondContact SG-SG 2.82Å; C359-V378 WeakPolarHBondContact SG-CG1 3.31Å; C359-L380 HydrophobicContact CB-CD2 4.05Å
360W68.1Low59.5Low176 Ų17681 Ų8167%0.66746%0.462SS*.THydrogen-bonded Turntrans-59.9-28.817969.5-94.5000114.1T358 V378T358-W360 PolarHBondContact O-N 3.26Å; W360-V378 HydrophobicContact CH2-CG2 4.29Å; W360-V378 HydrophobicContact CZ2-CG2 3.3Å
361R52.2Low59.3Low160 Ų16083.1 Ų83.160%0.60447%0.474SS*.THydrogen-bonded Turntrans-84-41.2-177179.9176.7-79.7-121.9-1.4113.7C359 V378C359-R361 PolarHBondContact O-N 3.11Å; C359-R361 VanDerWaalsContact O-N 3.14Å; C359-R361 PolarHBondContact SG-N 2.86Å; C359-R361 VanDerWaalsContact SG-N 3.42Å; R361-V378 HydrophobicContact CB-CB 4.22Å; R361-V378 HydrophobicContact CB-CG1 3.93Å; R361-V378 HydrophobicContact CB-CG2 4.37Å
362C65.6Low60.1Low57 Ų5784.6 Ų84.639%0.38546%0.461SS..THydrogen-bonded Turntrans-124.7-3-171.370.20000114.5C359 E364 C376C359-C362 PolarHBondContact O-N 3.21Å; C362-E364 PolarHBondContact O-N 3.19Å; C362-E364 VanDerWaalsContact SG-CB 3.59Å; C362-C376 HydrophobicContact CB-CB 3.94Å; C362-C376 PolarHBondContact SG-SG 3.26Å
363G60.3Low61.1Low50 Ų5078.4 Ų78.452%0.51543%0.433SS..  trans75.3-3.8-179.700000115.2T358 C359T358-G363 WeakPolarHBondContact CG2-O 3.05Å; C359-G363 VanDerWaalsContact O-CA 3.3Å; C359-G363 WeakPolarHBondContact O-CA 3.1Å; C359-G363 PolarHBondContact O-N 2.58Å
364E64.1Low62.2Low105 Ų10579.9 Ų79.949%0.49145%0.445SS..  trans-74.5143.8-177.3-160.558.6-125.900111.9C359 C362 A375C359-E364 VanDerWaalsContact CB-O 3.23Å; C359-E364 WeakPolarHBondContact CB-O 3.14Å; C359-E364 PolarHBondContact N-O 3.12Å; C362-E364 PolarHBondContact O-N 3.19Å; C362-E364 VanDerWaalsContact SG-CB 3.59Å; E364-A375 HydrophobicContact CB-CB 4.07Å; E364-A375 HydrophobicContact CG-CB 4.07Å
365S66.7Low63.4Low67 Ų6777.5 Ų77.547%0.46944%0.435SS..EExtended strand (participates in β ladder)trans-72.9141.5177.166.70000111.7
366A61.4Low63.8Low5 Ų576 Ų764%0.04143%0.425CS..EExtended strand (participates in β ladder)trans-140.7148.6176.700000110.3W356 V357 L380W356-A366 CarbonylContact C-O 3.52Å; W356-A366 VanDerWaalsContact CA-O 3.27Å; W356-A366 WeakPolarHBondContact CA-O 3.09Å; V357-A366 HydrophobicContact CG1-CB 4.36Å; V357-A366 WeakPolarHBondContact CG1-O 3.2Å; V357-A366 PolarHBondContact N-O 2.78Å; V357-A366 PolarHBondContact O-N 2.89Å; V357-A366 VanDerWaalsContact O-O 3.14Å; A366-L380 HydrophobicContact CB-CD1 3.29Å
367P62.9Low64Low70 Ų7069.9 Ų69.946%0.45542%0.417SS..EExtended strand (participates in β ladder)trans-59145.2172.9-2434.4000112.3D369 A370P367-D369 WeakPolarHBondContact CB-OD1 3Å; P367-D369 PolarHBondContact O-N 2.61Å; P367-A370 HydrophobicContact CB-CB 4.19Å; P367-A370 HydrophobicContact CG-CB 4.42Å; P367-A370 VanDerWaalsContact O-CB 3.25Å; P367-A370 WeakPolarHBondContact O-CB 3.44Å; P367-A370 PolarHBondContact O-N 3.12Å
368L58.8Low63.7Low62 Ų6269 Ų6933%0.32541%0.412SS..THydrogen-bonded Turntrans-63.5-21.3-179.8-104.5146.2000114C355 V357C355-L368 HydrophobicContact CB-CB 4.45Å; C355-L368 HydrophobicContact CB-CD1 3.14Å; C355-L368 HydrophobicContact CB-CG 4.35Å; C355-L368 WeakPolarHBondContact O-CB 3.41Å; C355-L368 PolarHBondContact O-N 2.92Å; V357-L368 HydrophobicContact CB-CG 4.26Å; V357-L368 HydrophobicContact CG1-CG 4.47Å
369D58.7Low63.8Low141 Ų14171.4 Ų71.475%0.75442%0.417SS*.THydrogen-bonded Turntrans-91.3-4.4174.663.9-32.1000113.3P367 P371P367-D369 WeakPolarHBondContact CB-OD1 3Å; P367-D369 PolarHBondContact O-N 2.61Å; D369-P371 VanDerWaalsContact O-CD 3.31Å; D369-P371 WeakPolarHBondContact O-CD 3.2Å
370A61.4Low63.7Low22 Ų2271.6 Ų71.618%0.18242%0.418CS..  trans-76.5118177.100000110.4P367 H372P367-A370 HydrophobicContact CB-CB 4.19Å; P367-A370 HydrophobicContact CG-CB 4.42Å; P367-A370 VanDerWaalsContact O-CB 3.25Å; P367-A370 WeakPolarHBondContact O-CB 3.44Å; P367-A370 PolarHBondContact O-N 3.12Å; A370-H372 PolarHBondContact O-N 2.89Å
371P62.5Low63Low68 Ų6869.8 Ų69.844%0.44242%0.421SS..SBendtrans-70.3-19.9-179.826.8-33.4000112.9D369 F379 L380D369-P371 VanDerWaalsContact O-CD 3.31Å; D369-P371 WeakPolarHBondContact O-CD 3.2Å; P371-F379 HydrophobicContact CB-CE2 4.11Å; P371-F379 WeakPolarHBondContact O-CA 3.41Å; P371-F379 WeakPolarHBondContact O-CD2 3.07Å; P371-F379 WeakPolarHBondContact O-CE2 3.35Å; P371-L380 PolarHBondContact O-N 3.16Å
372H74.9Confident62.5Low103 Ų10365.6 Ų65.648%0.47742%0.42SS..BIsolated β-bridgetrans-138.3146.6-178.4-5092.5000110.9A370 A374 V378 F379A370-H372 PolarHBondContact O-N 2.89Å; H372-A374 PolarHBondContact O-N 3.29Å; H372-V378 CarbonylContact C-O 3.52Å; H372-V378 VanDerWaalsContact CA-O 3.3Å; H372-V378 WeakPolarHBondContact CA-O 3.24Å; H372-F379 AromaticContact CD2-CD2 3.87Å; H372-F379 AromaticContact NE2-CD2 3.68Å
373C70.5Confident60.9Low3 Ų369.4 Ų69.42%0.0244%0.436CS..  trans-67.3127.7169.81770000110.2C359 A375 G377 V378 L380C359-C373 HydrophobicContact CB-CB 4.04Å; C359-C373 VanDerWaalsContact SG-SG 3.67Å; C373-A375 VanDerWaalsContact C-N 3.27Å; C373-A375 PolarHBondContact O-N 3.36Å; C373-A375 PolarHBondContact SG-N 3.44Å; C373-G377 WeakPolarHBondContact O-CA 3.43Å; C373-G377 PolarHBondContact O-N 3.34Å; C373-V378 HydrophobicContact CB-CG1 4.04Å; C373-V378 PolarHBondContact N-O 3.03Å; C373-L380 HydrophobicContact CB-CD1 4.22Å; C373-L380 HydrophobicContact CB-CD2 4.26Å; C373-L380 HydrophobicContact CB-CG 4.3Å
374A69.1Low59.4Low108 Ų10871.1 Ų71.189%0.89345%0.445SS*.THydrogen-bonded Turntrans-66.8-26.8179.600000113.6H372H372-A374 PolarHBondContact O-N 3.29Å
375A70.2Confident57.8Low70 Ų7070.3 Ų70.358%0.57945%0.449SS*.THydrogen-bonded Turntrans-83.7-40.9-177.500000113.4E364 C373E364-A375 HydrophobicContact CB-CB 4.07Å; E364-A375 HydrophobicContact CG-CB 4.07Å; C373-A375 VanDerWaalsContact C-N 3.27Å; C373-A375 PolarHBondContact O-N 3.36Å; C373-A375 PolarHBondContact SG-N 3.44Å
376C61.5Low56.2Low48 Ų4870.9 Ų70.932%0.32445%0.452SS..THydrogen-bonded Turntrans-122.4-0.3-17472.90000115C359 C362 V378C359-C376 PolarHBondContact SG-SG 2.82Å; C362-C376 HydrophobicContact CB-CB 3.94Å; C362-C376 PolarHBondContact SG-SG 3.26Å; C376-V378 PolarHBondContact O-N 2.82Å; C376-V378 VanDerWaalsContact O-N 3.16Å
377G61.1Low54.8Low49 Ų4976.5 Ų76.551%0.50549%0.485SS..  trans71.34.1175.300000115.4C373C373-G377 WeakPolarHBondContact O-CA 3.43Å; C373-G377 PolarHBondContact O-N 3.34Å
378V59.7Low53.5Low20 Ų2079 Ų7912%0.12150%0.501CS..  trans-72141.5-178.483.20000111C359 W360 R361 H372 C373 C376 L380C359-V378 WeakPolarHBondContact SG-CG1 3.31Å; W360-V378 HydrophobicContact CH2-CG2 4.29Å; W360-V378 HydrophobicContact CZ2-CG2 3.3Å; R361-V378 HydrophobicContact CB-CB 4.22Å; R361-V378 HydrophobicContact CB-CG1 3.93Å; R361-V378 HydrophobicContact CB-CG2 4.37Å; H372-V378 CarbonylContact C-O 3.52Å; H372-V378 VanDerWaalsContact CA-O 3.3Å; H372-V378 WeakPolarHBondContact CA-O 3.24Å; C373-V378 HydrophobicContact CB-CG1 4.04Å; C373-V378 PolarHBondContact N-O 3.03Å; C376-V378 PolarHBondContact O-N 2.82Å; C376-V378 VanDerWaalsContact O-N 3.16Å; V378-L380 HydrophobicContact CG1-CD2 4.25Å; V378-L380 PolarHBondContact O-N 3.23Å
379F64.5Low52.2Low111 Ų11180.9 Ų80.949%0.48752%0.519SS..BIsolated β-bridgetrans-65.2125.9174.6-168.9-101.2000109.8P371 H372 L381P371-F379 HydrophobicContact CB-CE2 4.11Å; P371-F379 WeakPolarHBondContact O-CA 3.41Å; P371-F379 WeakPolarHBondContact O-CD2 3.07Å; P371-F379 WeakPolarHBondContact O-CE2 3.35Å; H372-F379 AromaticContact CD2-CD2 3.87Å; H372-F379 AromaticContact NE2-CD2 3.68Å; F379-L381 HydrophobicContact CD1-CD1 4.36Å; F379-L381 HydrophobicContact CE1-CD1 4.23Å
380L63.5Low51Low9 Ų981.3 Ų81.35%0.04752%0.521CS..  trans-93113.5174.7-61.1173.5000106V357 C359 A366 P371 C373 V378 A382V357-L380 HydrophobicContact CG1-CD1 4.14Å; C359-L380 HydrophobicContact CB-CD2 4.05Å; A366-L380 HydrophobicContact CB-CD1 3.29Å; P371-L380 PolarHBondContact O-N 3.16Å; C373-L380 HydrophobicContact CB-CD1 4.22Å; C373-L380 HydrophobicContact CB-CD2 4.26Å; C373-L380 HydrophobicContact CB-CG 4.3Å; V378-L380 HydrophobicContact CG1-CD2 4.25Å; V378-L380 PolarHBondContact O-N 3.23Å; L380-A382 PolarHBondContact O-N 3.1Å
381L52.6Low49.5Very low137 Ų13787.9 Ų87.972%0.71755%0.553SS**  trans-65.298.4-175.1-156.884.4000108.9F379 L383F379-L381 HydrophobicContact CD1-CD1 4.36Å; F379-L381 HydrophobicContact CE1-CD1 4.23Å; L381-L383 VanDerWaalsContact C-N 3.29Å; L381-L383 HydrophobicContact CD2-CG 4.46Å; L381-L383 PolarHBondContact O-N 3.44Å
382A43.3Very low48.1Very low72 Ų7292.3 Ų92.360%0.59557%0.572SS**  trans-7285175.200000109.5L380L380-A382 PolarHBondContact O-N 3.1Å
383L31.3Very low46.2Very low137 Ų13793.5 Ų93.572%0.71759%0.586SS**  trans-70.2138.2155.7-70.1171.1000107.6L381L381-L383 VanDerWaalsContact C-N 3.29Å; L381-L383 HydrophobicContact CD2-CG 4.46Å; L381-L383 PolarHBondContact O-N 3.44Å
384A29.6Very low44.5Very low86 Ų8698.7 Ų98.771%0.71162%0.62SS**SBendtrans-41.5151.2166.500000111.2
385P29.7Very low42.7Very low89 Ų8999.4 Ų99.458%0.57862%0.615SS**  trans-52.9129.4-162.820.2-32.9000111.6T387P385-T387 PolarHBondContact O-N 3.39Å
386P32.4Very low40.9Very low79 Ų79105.2 Ų105.251%0.51363%0.631SS.*  trans-60.1135.8168.125.7-31.1000108.2
387T32.8Very low40Very low122 Ų122111.9 Ų111.975%0.74866%0.657SS**  trans-43136.9157.6430000109.8P385 C389P385-T387 PolarHBondContact O-N 3.39Å; T387-C389 PolarHBondContact O-N 2.98Å
388P34.5Very low38.5Very low122 Ų122117.1 Ų117.179%0.79267%0.674SS**  trans-59.9127.3175.925-31.6000109.3N390P388-N390 PolarHBondContact O-N 3.42Å
389C32Very low37.5Very low103 Ų103121.8 Ų121.870%0.69670%0.702SS**  trans-63.6118.3172.1-62.90000108.9T387T387-C389 PolarHBondContact O-N 2.98Å
390N34.3Very low36.2Very low150 Ų150120 Ų12080%0.80271%0.708SS**  trans-120.7146147.4-80.9-20.3000107.3P388P388-N390 PolarHBondContact O-N 3.42Å
391D28.4Very low34.8Very low159 Ų159128.4 Ų128.485%0.8575%0.747SS**  trans86.586.4176.4-54.4-32.2000117.4
392I33.4Very low34.2Very low162 Ų162127.4 Ų127.483%0.83175%0.751SS**  trans-116.2105.4144.5-60.6173.3000106.5
393T34.8Very low33.7Very low128 Ų128133.3 Ų133.379%0.78577%0.767SS**PPolyproline II helixtrans-73136.7151.82.70000108
394P34.9Very low34Very low112 Ų112132.6 Ų132.673%0.72777%0.768SS**PPolyproline II helixtrans-72.2139.7179.229-31.8000110.6
395P32Very low34Very low123 Ų123137 Ų13780%0.79977%0.774SS**PPolyproline II helixtrans-78.6130.7164.931-27.1000108.8
396E32.5Very low34.3Very low192 Ų192143.8 Ų143.890%0.89779%0.787SS**PPolyproline II helixtrans-61.9149.1166-73.1-158119.100110.9D398E396-D398 PolarHBondContact O-N 3.3Å
397E42.8Very low34.3Very low187 Ų187147.9 Ų147.987%0.87480%0.799SS**PPolyproline II helixtrans-65.4116.5175.2-165.4179.5133.600109.2
398D28.7Very low34.6Very low160 Ų160147.2 Ų147.286%0.85680%0.797SS**  trans-144.3145.7156.9-141.4-19000112.3E396E396-D398 PolarHBondContact O-N 3.3Å
399T39.8Very low34.5Very low117 Ų117150.1 Ų150.172%0.71880%0.798SS**  trans-91.9145.5-158.6-60.70000110.8
400A36.8Very low34.7Very low75 Ų75151.3 Ų151.362%0.6280%0.804SS**  trans98141.4151.800000121.1
401H33.7Very low34.9Very low184 Ų184150.5 Ų150.585%0.85280%0.804SS**  trans94.1104.6158.1-59.4-70.9000119.5
402S41.2Very low35.3Very low116 Ų116148.3 Ų148.381%0.81180%0.797SS**  trans-30.2134.7161.5-61.90000116
403Q32.8Very low35.5Very low197 Ų197151.1 Ų151.192%0.92180%0.797SS**  -164.9142.9112.5-102.5-178.91300111.3
404V37.4Very low35.5Very low122 Ų122150.4 Ų150.474%0.73979%0.788SS**  trans-91.6121.5-175.5167.20000109.2R406V404-R406 HydrophobicContact CG1-CG 4.25Å
405E29.9Very low35.4Very low179 Ų179151.4 Ų151.484%0.83679%0.786SS**  trans-128.7129.8151.6-84.9-136124.800109.8
406R34.4Very low35.7Very low230 Ų230151 Ų15187%0.86878%0.783SS**  trans-93.7119.5-175.5-66.5179-177.6150.90.1109.7V404V404-R406 HydrophobicContact CG1-CG 4.25Å
407H32.2Very low35.6Very low165 Ų165146 Ų14676%0.76477%0.77SS**  trans-105.9141.3162.9-71.4-62.2000111.1
408P41Very low34.8Very low108 Ų108142.9 Ų142.970%0.70177%0.767SS**  trans-101.876-177.538.1-29.8000111.7
409F31.3Very low35Very low184 Ų184150.6 Ų150.681%0.80778%0.784SS**  trans-147.6130.8163.3-67.7-73.8000109.8V411F409-V411 PolarHBondContact O-N 3.5Å
410P37.2Very low34.7Very low127 Ų127152.3 Ų152.383%0.82579%0.787SS**PPolyproline II helixtrans-78.3119.1-177.629.7-31000111.2
411V38.3Very low34.6Very low133 Ų133156.3 Ų156.381%0.80680%0.796SS**PPolyproline II helixtrans-77.8119.6170.4176.90000108.7F409F409-V411 PolarHBondContact O-N 3.5Å
412V36.2Very low34.7Very low114 Ų114154.8 Ų154.869%0.69179%0.793SS**PPolyproline II helixtrans-80.5116.7172.7179.30000108.3
413R37.8Very low34.3Very low220 Ų220157.1 Ų157.183%0.8379%0.792SS**  trans-83.7115.5171.7-91.8-174.9158.8162.2-4.7109.7
414L34.5Very low34.4Very low114 Ų114154.6 Ų154.660%0.59778%0.784SS**  trans-75.5117.2163.9-68.2166.2000107.7
415L33.7Very low34.2Very low132 Ų132156.7 Ų156.769%0.69179%0.787SS**  trans-86.5127.3173.3-81.3158.6000109.3
416P36.4Very low34.5Very low115 Ų115155.1 Ų155.175%0.74778%0.784SS**  trans-83.6115.1166.231.5-26000108.6
417S31Very low34.5Very low87 Ų87149.4 Ų149.461%0.60878%0.777SS**  trans-152.292.3162.1-72.20000106.4
418C27.1Very low34.7Very low122 Ų122148.1 Ų148.182%0.82478%0.778SS**  62.9110.595.1-70.70000112.6
419R31.5Very low34.1Very low321 Ų321151.7 Ų151.7100%1.21179%0.785SS**  -169083.9-130.2177.3-174.5-174.71.3111.4

Retrieved 419 of 419 residues in 233.5 ms (Link to these results)